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CHEBI:187802 - Glabrin D

ChEBI IDCHEBI:187802
ChEBI NameGlabrin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H49N7O10
Net Charge0
Average Mass739.827
Monoisotopic Mass739.35409
SMILES[H][C@@]12CCCN1C(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C(C)C)NC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CCC(=O)O)NC2=O
InChIInChI=1S/C36H49N7O10/c1-20(2)30-34(51)39-24(18-21-9-11-22(44)12-10-21)31(48)37-19-28(45)41-15-3-6-25(41)32(49)38-23(13-14-29(46)47)35(52)43-17-5-8-27(43)36(53)42-16-4-7-26(42)33(50)40-30/h9-12,20,23-27,30,44H,3-8,13-19H2,1-2H3,(H,37,48)(H,38,49)(H,39,51)(H,40,50)(H,46,47)/t23-,24-,25-,26-,27-,30-/m0/s1
InChIKeyHUBKEBDFQLHLMX-CJQGIMJOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Glabrin D (CHEBI:187802) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[(3S,9S,12S,21S,24S,27S)-21-[(4-hydroxyphenyl)methyl]-2,8,11,17,20,23,26-heptaoxo-24-propan-2-yl-1,7,10,16,19,22,25-heptazatetracyclo[25.3.0.03,7.012,16]triacontan-9-yl]propanoic acid