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CHEBI:203787 - Stictamide A

ChEBI IDCHEBI:203787
ChEBI NameStictamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H54N6O8
Net Charge0
Average Mass758.917
Monoisotopic Mass758.40031
SMILESCC(C)=CCN=C(N)NCCC[C@@H](NC(=O)CCCc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C41H54N6O8/c1-27(2)21-23-44-41(42)43-22-7-11-33(45-37(51)12-6-10-28-13-17-31(48)18-14-28)39(53)47-34(24-29-8-4-3-5-9-29)36(50)26-38(52)46-35(40(54)55)25-30-15-19-32(49)20-16-30/h3-5,8-9,13-21,33-36,48-50H,6-7,10-12,22-26H2,1-2H3,(H,45,51)(H,46,52)(H,47,53)(H,54,55)(H3,42,43,44)/t33-,34+,35+,36+/m1/s1
InChIKeyQNUNSWNHYZFQQQ-WISKXVKBSA-N
Species of MetaboliteComponentSourceComments
Stictaspecies (ncbitaxon:2012247) - PubMed (21500817)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Stictamide A (CHEBI:203787) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(3S,4S)-3-hydroxy-4-[[(2R)-2-[4-(4-hydroxyphenyl)butanoylamino]-5-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]pentanoyl]amino]-5-phenylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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25948196ChemSpider