CHEBI:204709 - Dechloro-balhimycin V

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Dechloro-balhimycin V
ChEBI ID CHEBI:204709
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C73H86N10O26
Net Charge 0
Average Mass 1519.535
Monoisotopic Mass 1518.57147
InChI InChI=1S/C73H86N10O26/c1-28(2)18-40(77-7)64(94)82-54-56(89)31-8-13-36(14-9-31)104-44-20-34-21-45(60(44)109-71-61(58(91)57(90)46(27-84)106-71)108-49-26-73(6,76)63(93)30(4)103-49)105-37-15-10-32(11-16-37)59(107-48-25-72(5,75)62(92)29(3)102-48)55-69(99)81-53(70(100)101)39-22-35(85)23-43(87)50(39)38-19-33(12-17-42(38)86)51(66(96)83-55)80-67(97)52(34)79-65(95)41(24-47(74)88)78-68(54)98/h8-17,19-23,28-30,40-41,46,48-49,51-59,61,71,77,84-87,89-91H,18,24-27,75-76H2,1-7H3,(H2,74,88)(H,78,98)(H,79,95)(H,80,97)(H,81,99)(H,82,94)(H,83,96)(H,100,101)/t29-,30-,40+,41?,46+,48-,49-,51+,52+,53+,54+,55-,56+,57+,58-,59+,61+,71-,72-,73-/m0/s1
InChIKey ASFBVALBQHMSMU-LBAQXYGBSA-N
SMILES O=C1N[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)C=3C(C=4C=C2C=CC4O)=C(O)C=C(O)C3)[C@H](O[C@@H]5O[C@H](C(=O)[C@](C5)(N)C)C)C6=CC=C(OC7=CC=8[C@H]1NC(=O)C(NC(=O)[C@H](NC(=O)[C@H](NC)CC(C)C)[C@H](O)C9=CC=C(OC(C8)=C7O[C@@H]%10O[C@@H]([C@@H](O)[C@@H]([C@H]%10O[C@@H]%11O[C@H](C(=O)[C@](C%11)(N)C)C)O)CO)C=C9)CC(=O)N)C=C6
Metabolite of Species Details
Amycolatopsis (NCBI:txid1813) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Dechloro-balhimycin V (CHEBI:204709) is a oligopeptide (CHEBI:25676)
IUPAC Name
(1S,2R,18R,19R,25R,28R,40R)-2-[(2R,4S,6S)-4-amino-4,6-dimethyl-5-oxooxan-2-yl]oxy-48-[(2S,3R,4S,5S,6R)-3-[(2R,4S,6S)-4-amino-4,6-dimethyl-5-oxooxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-18,32,35,37-tetrahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3(50),4,6(49),8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37-pentadecaene-40-carboxylic acid
Manual Xref Database
78437183 ChemSpider
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