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CHEBI:219942 - WS9326G

ChEBI IDCHEBI:219942
ChEBI NameWS9326G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H63N7O12
Net Charge0
Average Mass954.091
Monoisotopic Mass953.45347
SMILESCCC/C=C\c1ccccc1/C=C/C(=O)N[C@@H](CO)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
InChIInChI=1S/C50H63N7O12/c1-6-7-9-16-34-17-12-13-18-35(34)21-24-43(62)52-40(29-58)49(67)57(5)41(27-33-19-22-36(60)23-20-33)47(65)54-37(25-30(2)3)45(63)53-38(26-32-14-10-8-11-15-32)46(64)56-44(31(4)59)48(66)55-39(50(68)69)28-42(51)61/h8-24,27,30-31,37-40,44,58-60H,6-7,25-26,28-29H2,1-5H3,(H2,51,61)(H,52,62)(H,53,63)(H,54,65)(H,55,66)(H,56,64)(H,68,69)/b16-9-,24-21+,41-27+/t31?,37-,38+,39-,40-,44-/m0/s1
InChIKeyLNQYORFYYXHXPB-KNYYYOTRSA-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)
WS9326G (CHEBI:219942) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-3-hydroxy-2-[[(2R)-2-[[(2S)-2-[[(E)-2-[[(2S)-3-hydroxy-2-[[(E)-3-[2-[(Z)-pent-1-enyl]phenyl]prop-2-enoyl]amino]propanoyl]-methylamino]-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]-4-oxobutanoic acid
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