EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226491 - Tiglicamide C

ChEBI IDCHEBI:226491
ChEBI NameTiglicamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H57N7O13S
Net Charge0
Average Mass875.999
Monoisotopic Mass875.37351
SMILESC/C=C1\NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)/C(C)=C/C)C(C)C)[C@@H](C)OC(=O)[C@H](CCS(C)=O)NC(=O)[C@@H](CCC(=O)O)NC1=O
InChIInChI=1S/C40H57N7O13S/c1-9-21(5)33(51)46-31(20(3)4)38(56)45-29(19-24-11-13-25(48)14-12-24)37(55)47-32-23(7)60-40(58)28(17-18-61(8)59)44-36(54)27(15-16-30(49)50)43-35(53)26(10-2)42-34(52)22(6)41-39(32)57/h9-14,20,22-23,27-29,31-32,48H,15-19H2,1-8H3,(H,41,57)(H,42,52)(H,43,53)(H,44,54)(H,45,56)(H,46,51)(H,47,55)(H,49,50)/b21-9+,26-10-/t22-,23+,27+,28-,29+,31-,32-,61?/m0/s1
InChIKeyLNZZAPVTOPDKIB-RDIOVHBBSA-N
Species of MetaboliteComponentSourceComments
Lyngbya confervoides (ncbitaxon:207921) - PubMed (19815244)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Tiglicamide C (CHEBI:226491) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-[(3S,6R,9Z,12S,15S,16R)-9-ethylidene-15-[[(2R)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[[(E)-2-methylbut-2-enoyl]amino]butanoyl]amino]propanoyl]amino]-12,16-dimethyl-3-(2-methylsulinylethyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-6-yl]propanoic acid
Manual XrefsDatabases
27024667ChemSpider