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CHEBI:218975 - Aspercryptin A1

ChEBI IDCHEBI:218975
ChEBI NameAspercryptin A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H71N7O9
Net Charge0
Average Mass758.015
Monoisotopic Mass757.53133
SMILESCCCCCCCCCC[C@@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCCC)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](N)CO)[C@@H](C)O)[C@@H](C)CC
InChIInChI=1S/C37H71N7O9/c1-6-9-11-13-14-15-16-17-19-26(22-45)40-35(51)29(21-30(39)48)42-34(50)28(20-18-12-10-7-2)41-36(52)31(24(4)8-3)43-37(53)32(25(5)47)44-33(49)27(38)23-46/h24-29,31-32,45-47H,6-23,38H2,1-5H3,(H2,39,48)(H,40,51)(H,41,52)(H,42,50)(H,43,53)(H,44,49)/t24-,25+,26-,27+,28-,29-,31-,32+/m0/s1
InChIKeyYRNBBOHXJYWGRE-QPODZSHESA-N
Species of MetaboliteComponentSourceComments
Aspergillus nidulans (ncbitaxon:162425) - PubMed (27310134)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Aspercryptin A1 (CHEBI:218975) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2R,3R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]octanoyl]amino]-N-[(2S)-1-hydroxydodecan-2-yl]butanediamide