CHEBI:29515 - ansamitocin P3

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ChEBI Name ansamitocin P3
ChEBI ID CHEBI:29515
Definition A polyketide antibiotic that is isolated from Actinosynnema pretiosum and also exhibits antitumour activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H43ClN2O9
Net Charge 0
Average Mass 635.14500
Monoisotopic Mass 634.266
InChI InChI=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
InChIKey OPQNCARIZFLNLF-JBHFWYGFSA-N
SMILES [H][C@@]12C[C@@](O)(NC(=O)O1)[C@H](OC)\C=C\C=C(C)\Cc1cc(OC)c(Cl)c(c1)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]1(C)O[C@@]1([H])[C@@H]2C
Roles Classification
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
2'-De(acetylmethylamino)-2'-methylmaytansine KEGG COMPOUND
ansamitocin P-3 ChEBI
Antibiotic C15003P3 KEGG COMPOUND
C15003P3 KEGG COMPOUND
Maytansinol isobutyrate KEGG COMPOUND
Manual Xrefs Databases
C00018269 KNApSAcK
C12045 KEGG COMPOUND
LMPK04000039 LIPID MAPS
US2007135629 Patent
View more database links
Registry Numbers Types Sources
5416580 Reaxys Registry Number Reaxys
66584-72-3 CAS Registry Number KEGG COMPOUND
66584-72-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11071278 PubMed citation Europe PMC
1517150 PubMed citation Europe PMC
1530630 PubMed citation Europe PMC
15533675 PubMed citation Europe PMC
15674857 PubMed citation Europe PMC
19609582 PubMed citation Europe PMC
20235129 PubMed citation Europe PMC
20980145 PubMed citation Europe PMC
21504911 PubMed citation Europe PMC
21907573 PubMed citation Europe PMC
2298279 PubMed citation Europe PMC
Last Modified
24 October 2014