CHEBI:225699 - N-[(3S,6S,7R,10S,15R)-15-benzyl-10-[(2S)-butan-2-yl]-3,7,13,13-tetramethyl-2,5,9,12,14-pentaoxo-1,4,8,11-tetraoxacyclopentadec-6-yl]benzamide

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ChEBI Name N-[(3S,6S,7R,10S,15R)-15-benzyl-10-[(2S)-butan-2-yl]-3,7,13,13-tetramethyl-2,5,9,12,14-pentaoxo-1,4,8,11-tetraoxacyclopentadec-6-yl]benzamide
ChEBI ID CHEBI:225699
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H39NO10
Net Charge 0
Average Mass 609.672
Monoisotopic Mass 609.25740
InChI InChI=1S/C33H39NO10/c1-7-19(2)26-31(39)41-20(3)25(34-28(36)23-16-12-9-13-17-23)30(38)42-21(4)29(37)43-24(18-22-14-10-8-11-15-22)27(35)33(5,6)32(40)44-26/h8-17,19-21,24-26H,7,18H2,1-6H3,(H,34,36)/t19-,20+,21-,24+,25-,26-/m0/s1
InChIKey FAZZMEBXTMSOJN-ZIIXUDKGSA-N
SMILES O=C1O[C@H](C(=O)O[C@@H]([C@H](NC(=O)C2=CC=CC=C2)C(=O)O[C@H](C(O[C@@H](C(C1(C)C)=O)CC3=CC=CC=C3)=O)C)C)[C@H](CC)C
Metabolite of Species Details
Streptomyces violaceusniger (NCBI:txid68280) 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 N-[(3S,6S,7R,10S,15R)-15-benzyl-10-[(2S)-butan-2-yl]-3,7,13,13-tetramethyl-2,5,9,12,14-pentaoxo-1,4,8,11-tetraoxacyclopentadec-6-yl]benzamide (CHEBI:225699) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
N-[(3S,6S,7R,10S,15R)-15-benzyl-10-[(2S)-butan-2-yl]-3,7,13,13-tetramethyl-2,5,9,12,14-pentaoxo-1,4,8,11-tetraoxacyclopentadec-6-yl]benzamide
Manual Xref Database
78441923 ChemSpider
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