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CHEBI:218980 - Aspercryptin A2

ChEBI IDCHEBI:218980
ChEBI NameAspercryptin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H71N7O8
Net Charge0
Average Mass742.016
Monoisotopic Mass741.53641
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](C)N)[C@@H](C)O)[C@@H](C)CC
InChIInChI=1S/C37H71N7O8/c1-7-10-12-14-15-16-17-18-20-27(23-45)40-35(50)29(22-30(39)47)42-34(49)28(21-19-13-11-8-2)41-36(51)31(24(4)9-3)43-37(52)32(26(6)46)44-33(48)25(5)38/h24-29,31-32,45-46H,7-23,38H2,1-6H3,(H2,39,47)(H,40,50)(H,41,51)(H,42,49)(H,43,52)(H,44,48)/t24-,25+,26+,27-,28-,29-,31-,32+/m0/s1
InChIKeyRKWVLPAISBWKHV-SYEIMXEMSA-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 A2 (CHEBI:218980) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2R,3R)-2-[[(2R)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]octanoyl]amino]-N-[(2S)-1-hydroxydodecan-2-yl]butanediamide