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CHEBI:208823 - Lipovelutibol B

ChEBI IDCHEBI:208823
ChEBI NameLipovelutibol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H71N7O10
Net Charge0
Average Mass798.036
Monoisotopic Mass797.52624
SMILESCCCCCCCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@](C)(CC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC
InChIInChI=1S/C39H71N7O10/c1-11-14-15-16-17-18-30(48)40-21-31(49)41-26(9)33(50)42-27(19-23(4)5)35(52)46-39(10,13-3)38(56)44-29(22-47)34(51)45-32(25(8)12-2)36(53)43-28(37(54)55)20-24(6)7/h23-29,32,47H,11-22H2,1-10H3,(H,40,48)(H,41,49)(H,42,50)(H,43,53)(H,44,56)(H,45,51)(H,46,52)(H,54,55)/t25-,26-,27-,28-,29-,32-,39+/m0/s1
InChIKeyDOMYSMOQEWPFFE-YWCSKZJWSA-N
Species of MetaboliteComponentSourceComments
Trichoderma velutinum (ncbitaxon:202918) - PubMed (29373791)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Lipovelutibol B (CHEBI:208823) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S)-3-hydroxy-2-[[(2R)-2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[2-(octanoylamino)acetyl]amino]propanoyl]amino]pentanoyl]amino]butanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Manual XrefsDatabases
78440568ChemSpider