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CHEBI:215995 - Sinulariapeptide B

ChEBI IDCHEBI:215995
ChEBI NameSinulariapeptide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40N4O5
Net Charge0
Average Mass524.662
Monoisotopic Mass524.29987
SMILESCC[C@@H](C)[C@H](N)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)Nc1ccccc1C(=O)O)[C@H](C)CC
InChIInChI=1S/C29H40N4O5/c1-6-18(3)24(30)28(36)33(5)23(17-20-13-9-8-10-14-20)26(34)32-25(19(4)7-2)27(35)31-22-16-12-11-15-21(22)29(37)38/h8-16,18-19,23-25H,6-7,17,30H2,1-5H3,(H,31,35)(H,32,34)(H,37,38)/t18-,19-,23-,24+,25+/m1/s1
InChIKeyZFPYFFGAVOIWOP-KHBKAIFKSA-N
Species of MetaboliteComponentSourceComments
Simplicillium (ncbitaxon:292631) - PubMed (30006088)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Sinulariapeptide B (CHEBI:215995) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[(2S,3R)-2-[[(2R)-2-[[(2S,3R)-2-amino-3-methylpentanoyl]-methylamino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]benzoic acid
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71048860ChemSpider