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Substance Name: Bongkrekic acid
RN: 11076-19-0
UNII: L7V4I673D2
InChIKey: SHCXABJSXUACKU-WUTQZGRKSA-N

Note

  • An antibiotic produced by Pseudomonas cocovenenans. It is an inhibitor of MITOCHONDRIAL ADP, ATP TRANSLOCASES. Specifically, it blocks adenine nucleotide efflux from mitochondria by enhancing membrane binding.

Molecular Formula

  • C28-H38-O7

Molecular Weight

  • 486.601
 

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents
  • Drug / Therapeutic Agent
  • Natural Product
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Names and Synonyms

Name of Substance

  • Bongkrekic acid

MeSH Heading

  • Bongkrekic acid

Synonyms

  • 3-Carboxymethyl-17-methoxy-6,18,21-trimethyldocosa-2,4,8,12,14,18,20-heptaenedioic acid
  • Bongkrekic acid
  • RTECS KG2254000
  • UNII-L7V4I673D2

Systematic Name

  • 2,4,8,10,14,18,20-Docosaheptaenedioic acid, 20-(carboxymethyl)-6-methoxy-2,5,17-trimethyl-, (R-(R*,S*(E,Z,Z,E,E,Z,E)))-

Registry Numbers

CAS Registry Number

  • 11076-19-0

FDA UNII

  • L7V4I673D2

Other Registry Numbers

  • 11002-93-0
  • 12715-13-8
  • 32839-39-7

System Generated Number

  • 0011076190

Structure Descriptors

InChI

1S/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)/b8-6+,11-9+,12-10-,18-15+,22-16-,23-17+,24-19+/t21-,25+/m0/s1

InChIKey

SHCXABJSXUACKU-WUTQZGRKSA-N

Smiles

C(\C=C\[C@H](C\C=C\CC\C=C\C=C/C[C@H](\C(=C/C=C(/C(O)=O)C)C)OC)C)(CC(O)=O)=C/C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1410ug/kg (1.41mg/kg)   Tetrahedron. Vol. 26, Pg. 5993, 1970.