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CHEBI:29515 - ansamitocin P3

Default Structure
ChEBI IDCHEBI:29515
ChEBI Nameansamitocin P3
Stars
DefinitionA polyketide antibiotic that is isolated from Actinosynnema pretiosum and also exhibits antitumour activity.
Last Modified24 October 2014
DownloadsMolfile
FormulaC32H43ClN2O9
Net Charge0
Average Mass635.154
Monoisotopic Mass634.26571
SMILES[H][C@@]12O[C@@]1(C)[C@@H](OC(=O)C(C)C)CC(=O)N(C)c1cc(cc(OC)c1Cl)C/C(C)=C/C=C/[C@@H](OC)[C@@]1(O)C[C@]([H])(OC(=O)N1)[C@H]2C
InChIInChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28+,31+,32+/m1/s1
InChIKeyOPQNCARIZFLNLF-JBHFWYGFSA-N
Roles Classification
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
ansamitocin P3 (CHEBI:29515) has role antimicrobial agent (CHEBI:33281)
ansamitocin P3 (CHEBI:29515) has role antineoplastic agent (CHEBI:35610)
ansamitocin P3 (CHEBI:29515) has role metabolite (CHEBI:25212)
ansamitocin P3 (CHEBI:29515) is a aromatic ether (CHEBI:35618)
ansamitocin P3 (CHEBI:29515) is a carbamate ester (CHEBI:23003)
ansamitocin P3 (CHEBI:29515) is a carboxylic ester (CHEBI:33308)
ansamitocin P3 (CHEBI:29515) is a epoxide (CHEBI:32955)
ansamitocin P3 (CHEBI:29515) is a lactam (CHEBI:24995)
ansamitocin P3 (CHEBI:29515) is a macrocycle (CHEBI:51026)
ansamitocin P3 (CHEBI:29515) is a monochlorobenzenes (CHEBI:83403)
ansamitocin P3 (CHEBI:29515) is a polyketide (CHEBI:26188)
IUPAC Name 
(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate
Synonyms  Source
2'-De(acetylmethylamino)-2'-methylmaytansineKEGG COMPOUND
ansamitocin P-3ChEBI
Antibiotic C15003P3KEGG COMPOUND
C15003P3KEGG COMPOUND
Maytansinol isobutyrateKEGG COMPOUND
Manual XrefsDatabases
C00018269KNApSAcK
C12045KEGG COMPOUND
LMPK04000039LIPID MAPS
US2007135629Patent
Registry NumbersSources
Reaxys:5416580Reaxys
CAS:66584-72-3KEGG COMPOUND
CAS:66584-72-3ChemIDplus
Citations