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Substance Name: Pneumocandin A(0)
RN: 120300-08-5
InChIKey: DFQUSLQYURJBIT-UHFFFAOYSA-N

Note

  • Isolated from Zalerion aboricola.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Weight

  • 1079.25
 
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Names and Synonyms

Name of Substance

  • Pneumocandin A(0)

Synonym

  • Antibiotic L 671329

Systematic Name

  • L 671329

Registry Numbers

CAS Registry Number

  • 120300-08-5

System Generated Number

  • 0120300085

Structure Descriptors

InChI

1S/C51H82N8O17/c1-6-25(2)19-26(3)13-11-9-7-8-10-12-14-37(66)53-32-21-35(64)47(72)57-49(74)41-42(67)27(4)23-59(41)51(76)39(34(63)22-36(52)65)55-48(73)40(44(69)43(68)29-15-17-30(61)18-16-29)56-46(71)33-20-31(62)24-58(33)50(75)38(28(5)60)54-45(32)70/h15-18,25-28,31-35,38-44,47,60-64,67-69,72H,6-14,19-24H2,1-5H3,(H2,52,65)(H,53,66)(H,54,70)(H,55,73)(H,56,71)(H,57,74)

InChIKey

DFQUSLQYURJBIT-UHFFFAOYSA-N

Smiles

C1(=O)N2[C@@H](C(N[C@@H](C(=O)N[C@@H](C(N3C[C@@H]([C@@H](O)[C@@H]3C(N[C@@H]([C@@H](C[C@@H](NC(=O)CCCCCCCC[C@@H](C)C[C@@H](C)CC)C(N[C@@H]1[C@@H](C)O)=O)O)O)=O)C)=O)[C@@H](O)CC(N)=O)[C@@H](O)[C@@H](O)c1ccc(O)cc1)=O)C[C@@H](O)C2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 100mg/kg (100mg/kg)   Journal of Antibiotics. Vol. 42, Pg. 174, 1989.