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CHEBI:209532 - Malpinin D

ChEBI IDCHEBI:209532
ChEBI NameMalpinin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H58N10O8
Net Charge0
Average Mass830.988
Monoisotopic Mass830.44391
SMILESC/C=C(/NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](NC(C)=O)C(C)C)C(C)C)C(=O)N[C@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C42H58N10O8/c1-7-29(36(54)51-33(41(59)60)21-27-22-46-30-17-12-11-16-28(27)30)48-38(56)32(20-26-14-9-8-10-15-26)50-40(58)35(24(4)5)52-37(55)31(18-13-19-45-42(43)44)49-39(57)34(23(2)3)47-25(6)53/h7-12,14-17,22-24,31-35,46H,13,18-21H2,1-6H3,(H,47,53)(H,48,56)(H,49,57)(H,50,58)(H,51,54)(H,52,55)(H,59,60)(H4,43,44,45)/b29-7+/t31-,32+,33-,34-,35-/m1/s1
InChIKeyJHQGBSNJGUUSJS-BOJMFMCZSA-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 D (CHEBI:209532) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2R)-2-[[(E)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]but-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid