CHEBI:138689 - HP_dp14_0001

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name HP_dp14_0001
ChEBI ID CHEBI:138689
Definition A heparin tetradecasaccharide consisting of 4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl, 2-O-sulfo-α-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl, 2-O-sulfo-α-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl, 2-O-sulfo-α-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl, 2-O-sulfo-α-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl, 2-O-sulfo-α-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl, 2-O-sulfo-α-L-idopyranuronosyl, and 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranose units joined in sequence by (1→4) linkages. Sequence: DUAp2S-(1-4)-a-D-GlcNpS6S-(1-4)-a-L-IdoAp2S-(1-4)-a-D-GlcNpS6S-(1-4)-a-L-IdoAp2S-(1-4)-a-D-GlcNpS6S-(1-4)-a-L-IdoAp2S-(1-4)-a-D-GlcNpS6S-(1-4)-a-L-IdoAp2S-(1-4)-a-D-GlcNpS6S-(1-4)-a-L-IdoAp2S-(1-4)-a-D-GlcNpS6S-(1-4)-a-L-IdoAp2S-(1-4)-a-D-GlcNpS6S.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Sylvie RICARD-BLUM
Supplier Information
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Formula C84H133N7O133S21
Net Charge 0
Average Mass 4042.313
Monoisotopic Mass 4038.79939
InChI InChI=1S/C84H133N7O133S21/c92-9-1-10(64(106)107)192-78(38(9)218-239(163,164)165)199-40-12(3-185-233(145,146)147)193-72(19(26(40)94)86-226(124,125)126)206-47-33(101)53(220-241(169,170)171)80(213-59(47)66(110)111)201-42-14(5-187-235(151,152)153)195-74(21(28(42)96)88-228(130,131)132)208-49-35(103)55(222-243(175,176)177)82(215-61(49)68(114)115)203-44-16(7-189-237(157,158)159)197-76(23(30(44)98)90-230(136,137)138)210-51-37(105)57(224-245(181,182)183)84(217-63(51)70(118)119)205-45-17(8-190-238(160,161)162)198-77(24(31(45)99)91-231(139,140)141)211-50-36(104)56(223-244(178,179)180)83(216-62(50)69(116)117)204-43-15(6-188-236(154,155)156)196-75(22(29(43)97)89-229(133,134)135)209-48-34(102)54(221-242(172,173)174)81(214-60(48)67(112)113)202-41-13(4-186-234(148,149)150)194-73(20(27(41)95)87-227(127,128)129)207-46-32(100)52(219-240(166,167)168)79(212-58(46)65(108)109)200-39-11(2-184-232(142,143)144)191-71(120)18(25(39)93)85-225(121,122)123/h1,9,11-63,71-105,120H,2-8H2,(H,106,107)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,121,122,123)(H,124,125,126)(H,127,128,129)(H,130,131,132)(H,133,134,135)(H,136,137,138)(H,139,140,141)(H,142,143,144)(H,145,146,147)(H,148,149,150)(H,151,152,153)(H,154,155,156)(H,157,158,159)(H,160,161,162)(H,163,164,165)(H,166,167,168)(H,169,170,171)(H,172,173,174)(H,175,176,177)(H,178,179,180)(H,181,182,183)/t9-,11+,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-,37-,38+,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,49-,50-,51-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,71-,72+,73+,74+,75+,76+,77+,78-,79+,80+,81+,82+,83+,84+/m0/s1
InChIKey NZVUSEKEHBAEGW-SIENBJNMSA-N
SMILES N(S(O)(=O)=O)[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]2O[C@H]([C@H]([C@@H]([C@H]2OS(O)(=O)=O)O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NS(O)(=O)=O)O)O[C@@H]4O[C@H]([C@H]([C@@H]([C@H]4OS(O)(=O)=O)O)O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5NS(O)(=O)=O)O)O[C@@H]6OC(=C[C@@H]([C@H]6OS(O)(=O)=O)O)C(=O)O)COS(O)(=O)=O)C(=O)O)COS(O)(=O)=O)C(=O)O)COS(O)(=O)=O)O[C@H]7[C@@H]([C@H]([C@@H](O[C@H]7C(=O)O)O[C@H]8[C@@H]([C@H]([C@H](O[C@@H]8COS(O)(=O)=O)O[C@H]9[C@@H]([C@H]([C@@H](O[C@H]9C(=O)O)O[C@H]%10[C@@H]([C@H]([C@H](O[C@@H]%10COS(O)(=O)=O)O[C@H]%11[C@@H]([C@H]([C@@H](O[C@H]%11C(=O)O)O[C@H]%12[C@@H]([C@H]([C@H](O[C@@H]%12COS(O)(=O)=O)O[C@H]%13[C@@H]([C@H]([C@@H](O[C@H]%13C(=O)O)O[C@H]%14[C@@H]([C@H]([C@H](O[C@@H]%14COS(O)(=O)=O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Porcine mucosal heparin See: PubMed
Sus scrofa (NCBI:txid9823) Porcine intestinal mucosal heparin See: PubMed
Sus scrofa (NCBI:txid9823) Porcine intestinal mucosa heparin See: PubMed
Bos taurus (NCBI:txid9913) Bovine lung heparin See: PubMed
Bos taurus (NCBI:txid9913) Bovine lung heparin See: PubMed
ChEBI Ontology
Outgoing HP_dp14_0001 (CHEBI:138689) is a amino oligosaccharide (CHEBI:22483)
HP_dp14_0001 (CHEBI:138689) is a heparin tetradecasaccharide (CHEBI:140098)
HP_dp14_0001 (CHEBI:138689) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name
4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranose
Synonym Source
alpha-delta4,5-HexA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNS(6S) IUPAC
Manual Xref Database
G62838IP GlyTouCan
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Citations Waiting for Citations Types Sources
11560500 PubMed citation Europe PMC
12071948 PubMed citation Europe PMC
14707146 PubMed citation Europe PMC
20729345 PubMed citation Europe PMC
21658003 PubMed citation Europe PMC
Last Modified
13 February 2018