CHEBI:209532 - Malpinin D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Malpinin D
ChEBI ID CHEBI:209532
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H58N10O8
Net Charge 0
Average Mass 830.988
Monoisotopic Mass 830.44391
InChI InChI=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
InChIKey JHQGBSNJGUUSJS-BOJMFMCZSA-N
SMILES O=C(N[C@@H](C(=O)O)CC=1C2=C(C=CC=C2)NC1)/C(/NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C)C(C)C)CCCN=C(N)N)C(C)C)CC3=CC=CC=C3)=C\C
Metabolite of Species Details
Mortierella alpina (NCBI:txid64518) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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