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CHEBI:199513 - TMC-2A

ChEBI IDCHEBI:199513
ChEBI NameTMC-2A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34N4O9
Net Charge0
Average Mass570.599
Monoisotopic Mass570.23258
SMILESCOc1c(O)cc2c(c1O)CN(C(=O)[C@@H](N)Cc1cnc3ccccc13)[C@H](C(=O)N[C@@H](CC(CO)CO)C(=O)O)C2
InChIInChI=1S/C28H34N4O9/c1-41-25-23(35)9-15-8-22(26(37)31-21(28(39)40)6-14(12-33)13-34)32(11-18(15)24(25)36)27(38)19(29)7-16-10-30-20-5-3-2-4-17(16)20/h2-5,9-10,14,19,21-22,30,33-36H,6-8,11-13,29H2,1H3,(H,31,37)(H,39,40)/t19-,21-,22-/m0/s1
InChIKeyODKDMMTXTVCCLJ-BVSLBCMMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (9315076)
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-2A (CHEBI:199513) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[(3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-hydroxy-4-(hydroxymethyl)pentanoic acid
Manual XrefsDatabases
5293579ChemSpider