CHEBI:206683 - 15G256gamma

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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 15G256gamma
ChEBI ID CHEBI:206683
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H42N4O9
Net Charge 0
Average Mass 614.696
Monoisotopic Mass 614.29518
InChI InChI=1S/C31H42N4O9/c1-4-5-6-7-10-17(2)27-18(3)28(40)33-22(13-14-24(37)38)29(41)35-25(30(42)34-23(16-36)31(43)44-27)26(39)20-15-32-21-12-9-8-11-19(20)21/h8-9,11-12,15,17-18,22-23,25,27,32,36H,4-7,10,13-14,16H2,1-3H3,(H,33,40)(H,34,42)(H,35,41)(H,37,38)/t17-,18+,22-,23+,25-,27+/m1/s1
InChIKey AKOIRKAANAYPTN-DVEYVZNXSA-N
SMILES O=C1O[C@H]([C@@H](C(=O)N[C@H](CCC(=O)O)C(N[C@@H](C(N[C@H]1CO)=O)C(=O)C=2C3=C(C=CC=C3)NC2)=O)C)[C@@H](CCCCCC)C
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 15G256gamma (CHEBI:206683) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
3-[(3S,6R,9R,12S,13S)-3-(hydroxymethyl)-6-(1H-indole-3-carbonyl)-12-methyl-13-[(2R)-octan-2-yl]-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-9-yl]propanoic acid
Manual Xref Database
78440225 ChemSpider
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