CHEBI:204980 - 15G256delta

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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 15G256delta
ChEBI ID CHEBI:204980
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H46N4O10
Net Charge 0
Average Mass 658.749
Monoisotopic Mass 658.32139
InChI InChI=1S/C33H46N4O10/c1-3-4-5-6-7-8-11-20-18-47-33(46)25(17-38)36-32(45)27(29(42)22-16-34-23-13-10-9-12-21(22)23)37-31(44)24(14-15-26(39)40)35-30(43)19(2)28(20)41/h9-10,12-13,16,19-20,24-25,27-28,34,38,41H,3-8,11,14-15,17-18H2,1-2H3,(H,35,43)(H,36,45)(H,37,44)(H,39,40)/t19-,20-,24+,25-,27-,28+/m0/s1
InChIKey VGYBJLIFUDBDBW-SKWPSWOWSA-N
SMILES O=C1OC[C@@H]([C@H](O)[C@@H](C(=O)N[C@@H](C(N[C@H](C(N[C@H]1CO)=O)C(=O)C=2C3=C(C=CC=C3)NC2)=O)CCC(=O)O)C)CCCCCCCC
Metabolite of Species Details
Hypoxylon (NCBI:txid42308) 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 15G256delta (CHEBI:204980) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
3-[(3S,6S,9R,12S,13S,14S)-13-hydroxy-3-(hydroxymethyl)-6-(1H-indole-3-carbonyl)-12-methyl-14-octyl-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclopentadec-9-yl]propanoic acid
Manual Xref Database
8755566 ChemSpider
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