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CHEBI:210451 - TMC-95 B

ChEBI IDCHEBI:210451
ChEBI NameTMC-95 B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H38N6O10
Net Charge0
Average Mass678.699
Monoisotopic Mass678.26494
SMILESC/C=C\NC(=O)[C@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)C(=O)[C@H](C)CC)Cc2ccc(O)c(c2)-c2cccc3c2NC(=O)[C@@]3(O)[C@H]1O
InChIInChI=1S/C33H38N6O10/c1-4-11-35-30(46)25-27(43)33(49)19-8-6-7-17(24(19)39-32(33)48)18-12-16(9-10-22(18)40)13-20(37-31(47)26(42)15(3)5-2)28(44)36-21(14-23(34)41)29(45)38-25/h4,6-12,15,20-21,25,27,40,43,49H,5,13-14H2,1-3H3,(H2,34,41)(H,35,46)(H,36,44)(H,37,47)(H,38,45)(H,39,48)/b11-4-/t15-,20+,21-,25+,27+,33+/m1/s1
InChIKeyZIAXNZCTODBCKW-DLWHCKAOSA-N
Species of MetaboliteComponentSourceComments
Apiospora (ncbitaxon:1811811) - PubMed (10805568)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
TMC-95 B (CHEBI:210451) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(10S,11S,12S,15R,18S)-15-(2-amino-2-oxoethyl)-10,11,23-trihydroxy-18-[[(3R)-3-methyl-2-oxopentanoyl]amino]-9,14,17-trioxo-N-[(Z)-prop-1-enyl]-8,13,16-triazatetracyclo[18.3.1.02,7.06,10]tetracosa-1(23),2(7),3,5,20(24),21-hexaene-12-carboxamide
Manual XrefsDatabases
78437959ChemSpider