ansamitocin P3

CHEBI:29515 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

A polyketide antibiotic that is isolated from Actinosynnema pretiosum and also exhibits antitumour activity. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:23003 CHEBI:23003
CHEBI:24995 CHEBI:24995
CHEBI:26188 CHEBI:26188
CHEBI:32955 CHEBI:32955
CHEBI:33308 CHEBI:33308
CHEBI:35618 CHEBI:35618
CHEBI:51026 CHEBI:51026
CHEBI:83403 CHEBI:83403

Chemical structure

Computed structure properties
Molecular formula	C32H43ClN2O9
Charge	0
Average mass	635.154 Da
Monoisotopic mass	634.26571 Da
Source	ChEBI
InChIKey	OPQNCARIZFLNLF-JBHFWYGFSA-N

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

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

Also called

(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 (EXACT_SYNONYM)— chebi
2'-De(acetylmethylamino)-2'-methylmaytansine (EXACT_SYNONYM)— chebi
Antibiotic C15003P3 (EXACT_SYNONYM)— chebi
C15003P3 (EXACT_SYNONYM)— chebi
Maytansinol isobutyrate (EXACT_SYNONYM)— chebi
ansamitocin P-3 (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:66584-72-3
kegg.compound:C12045
knapsack:C00018269
lipidmaps:LMPK04000039
patent:US2007135629
reaxys:5416580

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:33281 CHEBI:33281

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:29515`	ansamitocin P3	`antibioticmech:chebi-188600a360`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.