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CHEBI:209869 - Thaxteramide C

ChEBI IDCHEBI:209869
ChEBI NameThaxteramide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H55N7O10
Net Charge0
Average Mass781.908
Monoisotopic Mass781.40104
SMILESCC=C(C)CCCC(C)C(N)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C39H55N7O10/c1-4-23(2)6-5-7-24(3)29(40)20-35(51)44-31(21-33(41)49)38(54)46-30(18-25-8-12-27(47)13-9-25)37(53)43-22-36(52)42-17-16-34(50)45-32(39(55)56)19-26-10-14-28(48)15-11-26/h4,8-15,24,29-32,47-48H,5-7,16-22,40H2,1-3H3,(H2,41,49)(H,42,52)(H,43,53)(H,44,51)(H,45,50)(H,46,54)(H,55,56)/t24?,29?,30-,31-,32-/m0/s1
InChIKeyOCTHNVHQFJPSTK-GEWXTNJISA-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 C (CHEBI:209869) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[3-[[2-[[(2S)-2-[[(2S)-4-amino-2-[(3-amino-4,8-dimethyldec-8-enoyl)amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoic acid