Terminology Service for NFDI4Health
JSON

FR901463

Go to external page http://purl.obolibrary.org/obo/CHEBI_65914

A cyclic hemiketal isolated from the fermentation broth of Pseudomonas sp.no.2663. It displays potent cytotoxic activity against human tumour cells.

Term info

Label

FR901463

Synonyms
  • 6-[(1E,3E)-5-(5-{[(2Z)-4-(acetyloxy)pent-2-enoyl]amino}-3,6-dimethyltetrahydro-2H-pyran-2-yl)-3-methylpenta-1,3-dien-1-yl]-4-C-(chloromethyl)-1,3-dideoxy-alpha-D-erythro-hex-2-ulopyranose
database cross reference
Subsets

3_STAR

IUPAC NAME
6-[(1E,3E)-5-(5-{[(2Z)-4-(acetyloxy)pent-2-enoyl]amino}-3,6-dimethyltetrahydro-2H-pyran-2-yl)-3-methylpenta-1,3-dien-1-yl]-4-C-(chloromethyl)-1,3-dideoxy-alpha-D-erythro-hex-2-ulopyranose [ IUPAC ]

charge

0

formula

C27H42ClNO8

has obo namespace

chebi_ontology

has related synonym

(3Z)-5-[(6-{(2E,4E)-5-[(3R,4S,6S)-4-(chloromethyl)-3,4,6-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methylpenta-2,4-dien-1-yl}-2,5-dimethyltetrahydro-2H-pyran-3-yl)amino]-5-oxopent-3-en-2-yl acetate

id

CHEBI:65914

inchi

InChI=1S/C27H42ClNO8/c1-16(8-11-23-25(32)27(34,15-28)14-26(6,33)37-23)7-10-22-17(2)13-21(19(4)36-22)29-24(31)12-9-18(3)35-20(5)30/h7-9,11-12,17-19,21-23,25,32-34H,10,13-15H2,1-6H3,(H,29,31)/b11-8+,12-9-,16-7+/t17?,18?,19?,21?,22?,23?,25-,26+,27-/m1/s1

inchikey

RONUKPQOBQKEHX-FOUIGEGESA-N

mass

544.07700

monoisotopicmass

543.25990

smiles

CC1CC(NC(=O)\C=C/C(C)OC(C)=O)C(C)OC1C\C=C(C)\C=C\C1O[C@](C)(O)C[C@@](O)(CCl)[C@@H]1O