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CHEBI:219935 - WS9326F

ChEBI IDCHEBI:219935
ChEBI NameWS9326F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H65N7O12
Net Charge0
Average Mass968.118
Monoisotopic Mass967.46912
SMILESCCC/C=C\c1ccccc1/C=C/C(=O)N[C@H](C(=O)N(C)/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)O)[C@H](C)O
InChIInChI=1S/C51H65N7O12/c1-7-8-10-17-35-18-13-14-19-36(35)22-25-43(63)56-45(32(5)60)50(68)58(6)41(28-34-20-23-37(61)24-21-34)48(66)54-38(26-30(2)3)46(64)53-39(27-33-15-11-9-12-16-33)47(65)57-44(31(4)59)49(67)55-40(51(69)70)29-42(52)62/h9-25,28,30-32,38-40,44-45,59-61H,7-8,26-27,29H2,1-6H3,(H2,52,62)(H,53,64)(H,54,66)(H,55,67)(H,56,63)(H,57,65)(H,69,70)/b17-10-,25-22+,41-28+/t31?,32-,38-,39+,40-,44-,45-/m0/s1
InChIKeyHVYURUAVHZAISJ-NVDQEQGNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (29148157)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
WS9326F (CHEBI:219935) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-3-hydroxy-2-[[(2R)-2-[[(2S)-2-[[(E)-2-[[(2S,3S)-3-hydroxy-2-[[(E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enoyl]amino]butanoyl]-methylamino]-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
78439535ChemSpider