EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:222339 - Mevalagmapeptide B

ChEBI IDCHEBI:222339
ChEBI NameMevalagmapeptide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H63N7O5
Net Charge0
Average Mass625.900
Monoisotopic Mass625.48907
SMILESCN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N[C@H](C(=O)NCCCCN)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C32H63N7O5/c1-18(2)23(34-11)29(41)37-25(20(5)6)31(43)39(13)27(22(9)10)32(44)38(12)26(21(7)8)30(42)36-24(19(3)4)28(40)35-17-15-14-16-33/h18-27,34H,14-17,33H2,1-13H3,(H,35,40)(H,36,42)(H,37,41)/t23-,24-,25-,26-,27-/m0/s1
InChIKeyAZYAXSZUCISPAC-IRGGMKSGSA-N
Species of MetaboliteComponentSourceComments
Photorhabdus luminescens (ncbitaxon:29488) - PubMed (25826784)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Mevalagmapeptide B (CHEBI:222339) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-aminobutylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide