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CHEBI:208887 - Stictamide C

ChEBI IDCHEBI:208887
ChEBI NameStictamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H56N6O8
Net Charge0
Average Mass772.944
Monoisotopic Mass772.41596
SMILESCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=NCC=C(C)C)NC(=O)CCCc1ccc(O)cc1
InChIInChI=1S/C42H56N6O8/c1-28(2)22-24-45-42(43)44-23-8-12-34(46-38(52)13-7-11-29-14-18-32(49)19-15-29)40(54)48-35(25-30-9-5-4-6-10-30)37(51)27-39(53)47-36(41(55)56-3)26-31-16-20-33(50)21-17-31/h4-6,9-10,14-22,34-37,49-51H,7-8,11-13,23-27H2,1-3H3,(H,46,52)(H,47,53)(H,48,54)(H3,43,44,45)/t34-,35+,36+,37+/m1/s1
InChIKeyLJZRCNQLPJLGAY-HQPLKVBUSA-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 C (CHEBI:208887) is a peptide (CHEBI:16670)
IUPAC Name 
methyl (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)propanoate
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