EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209865 - Thaxteramide B2

ChEBI IDCHEBI:209865
ChEBI NameThaxteramide B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H57N7O12
Net Charge0
Average Mass875.977
Monoisotopic Mass875.40652
SMILESCC(CC=Cc1ccccc1)C(N)CC(=O)N[C@H](CO)C(=O)N[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O)C(C)O
InChIInChI=1S/C44H57N7O12/c1-26(7-6-10-28-8-4-3-5-9-28)33(45)23-38(57)49-36(25-52)42(60)51-40(27(2)53)43(61)50-34(21-29-11-15-31(54)16-12-29)41(59)47-24-39(58)46-20-19-37(56)48-35(44(62)63)22-30-13-17-32(55)18-14-30/h3-6,8-18,26-27,33-36,40,52-55H,7,19-25,45H2,1-2H3,(H,46,58)(H,47,59)(H,48,56)(H,49,57)(H,50,61)(H,51,60)(H,62,63)/t26?,27?,33?,34-,35-,36-,40+/m1/s1
InChIKeyTUOFDKHJOFXXRS-BPIHKZBFSA-N
Species of MetaboliteComponentSourceComments
Jahnella thaxteri (ncbitaxon:889265) - PubMed (31184172)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Thaxteramide B2 (CHEBI:209865) is a peptide (CHEBI:16670)
IUPAC Name 
(2R)-2-[3-[[2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[(3-amino-4-methyl-7-phenylhept-6-enoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoic acid