CHEBI:138694 - HP_dp10_0002

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name HP_dp10_0002
ChEBI ID CHEBI:138694
Definition A heparin decasaccharide 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, β-D-glucopyranuronosyl, 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)-b-D-GlcAp-(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 C60H95N5O92S14
Net Charge 0
Average Mass 2807.302
Monoisotopic Mass 2804.89989
InChI InChI=1S/C60H95N5O92S14/c66-7-1-8(46(77)78)136-57(29(7)154-168(118,119)120)142-32-11(4-132-165(109,110)111)139-54(17(21(32)69)64-161(97,98)99)148-37-27(75)41(157-171(127,128)129)60(153-44(37)49(83)84)145-34-13(6-134-167(115,116)117)140-55(18(23(34)71)65-162(100,101)102)149-38-28(76)40(156-170(124,125)126)59(152-45(38)50(85)86)144-33-12(5-133-166(112,113)114)138-52(16(22(33)70)63-160(94,95)96)146-35-24(72)25(73)56(150-42(35)47(79)80)141-31-10(3-131-164(106,107)108)137-53(15(20(31)68)62-159(91,92)93)147-36-26(74)39(155-169(121,122)123)58(151-43(36)48(81)82)143-30-9(2-130-163(103,104)105)135-51(87)14(19(30)67)61-158(88,89)90/h1,7,9-45,51-76,87H,2-6H2,(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105)(H,106,107,108)(H,109,110,111)(H,112,113,114)(H,115,116,117)(H,118,119,120)(H,121,122,123)(H,124,125,126)(H,127,128,129)/t7-,9+,10+,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+,51-,52+,53+,54+,55+,56+,57-,58+,59+,60+/m0/s1
InChIKey LLXMXCWPFPLTLS-JVUXXULDSA-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)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O)O)O
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Porcine heparin See: PubMed
ChEBI Ontology
Outgoing HP_dp10_0002 (CHEBI:138694) is a amino decasaccharide (CHEBI:68691)
HP_dp10_0002 (CHEBI:138694) is a heparin decasaccharide (CHEBI:139379)
HP_dp10_0002 (CHEBI:138694) 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)-β-D-glucopyranuronosyl-(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
Synonyms Sources
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)-beta-D-GlcpA-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNS(6S) IUPAC
Deca I SUBMITTER
Manual Xref Database
G34852RF GlyTouCan
View more database links
Citation Waiting for Citations Type Source
7717977 PubMed citation Europe PMC
Last Modified
22 January 2018