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CHEBI:210381 - Aspergillipeptide C

ChEBI IDCHEBI:210381
ChEBI NameAspergillipeptide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36N4O8
Net Charge0
Average Mass532.594
Monoisotopic Mass532.25331
SMILESCC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](C)OC(=O)[C@@H](C)CNC(=O)[C@@H](C)NC1=O
InChIInChI=1S/C26H36N4O8/c1-13(2)10-18-24(35)28-15(4)23(34)27-12-14(3)26(37)38-16(5)22(25(36)29-18)30-21(33)9-7-17-6-8-19(31)20(32)11-17/h6-9,11,13-16,18,22,31-32H,10,12H2,1-5H3,(H,27,34)(H,28,35)(H,29,36)(H,30,33)/b9-7+/t14-,15+,16+,18-,22-/m0/s1
InChIKeyPMCMQSNCIDXCCR-BLQOMBMGSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies SCSGAF 0076 (ncbitaxon:1500550) - DOI (10.1016/j.tet.2013.01.021)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Aspergillipeptide C (CHEBI:210381) is a peptide (CHEBI:16670)
IUPAC Name 
(E)-3-(3,4-dihydroxyphenyl)-N-[(2R,3S,6S,9R,13S)-2,9,13-trimethyl-6-(2-methylpropyl)-4,7,10,14-tetraoxo-1-oxa-5,8,11-triazacyclotetradec-3-yl]prop-2-enamide
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29215476ChemSpider