EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217561 - Stictamide B

ChEBI IDCHEBI:217561
ChEBI NameStictamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H46N6O8
Net Charge0
Average Mass690.798
Monoisotopic Mass690.33771
SMILESNC(N)=NCCC[C@@H](NC(=O)CCCc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C36H46N6O8/c37-36(38)39-19-5-9-28(40-32(46)10-4-8-23-11-15-26(43)16-12-23)34(48)42-29(20-24-6-2-1-3-7-24)31(45)22-33(47)41-30(35(49)50)21-25-13-17-27(44)18-14-25/h1-3,6-7,11-18,28-31,43-45H,4-5,8-10,19-22H2,(H,40,46)(H,41,47)(H,42,48)(H,49,50)(H4,37,38,39)/t28-,29+,30+,31+/m1/s1
InChIKeyORWSPLPFCCECQV-BHSUFKTOSA-N
Species of MetaboliteComponentSourceComments
Stictaspecies (ncbitaxon:2012247) - PubMed (21500817)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Stictamide B (CHEBI:217561) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(3S,4S)-4-[[(2R)-5-(diaminomethylideneamino)-2-[4-(4-hydroxyphenyl)butanoylamino]pentanoyl]amino]-3-hydroxy-5-phenylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Manual XrefsDatabases
25948197ChemSpider