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CHEBI:209520 - Malpinin B

ChEBI IDCHEBI:209520
ChEBI NameMalpinin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H60N10O8
Net Charge0
Average Mass845.015
Monoisotopic Mass844.45956
SMILESC/C=C(/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CC(C)C)NC(C)=O)C(C)C)C(=O)N[C@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C43H60N10O8/c1-7-30(37(55)52-35(42(60)61)22-28-23-47-31-17-12-11-16-29(28)31)49-40(58)34(21-27-14-9-8-10-15-27)51-41(59)36(25(4)5)53-38(56)32(18-13-19-46-43(44)45)50-39(57)33(20-24(2)3)48-26(6)54/h7-12,14-17,23-25,32-36,47H,13,18-22H2,1-6H3,(H,48,54)(H,49,58)(H,50,57)(H,51,59)(H,52,55)(H,53,56)(H,60,61)(H4,44,45,46)/b30-7+/t32-,33-,34+,35-,36-/m1/s1
InChIKeyAOPNAVYTXFPJMQ-FGMZNJCXSA-N
Species of MetaboliteComponentSourceComments
Mortierella alpina (ncbitaxon:64518) - PubMed (30789272)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Malpinin B (CHEBI:209520) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2R)-2-[[(E)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]but-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid