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pikromycin(1+)

Go to external page http://purl.obolibrary.org/obo/CHEBI_76800

An organic cation that is the conjugate acid of pikromycin, obtained by protonation of the tertiary amino group; major species at pH 7.3.

Term info

Label

pikromycin(1+)

Synonyms
  • (3R,5R,6S,7S,9R,11E,13S,14R)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylazaniumyl)-beta-D-xylo-hexopyranoside
database cross reference
Subsets

3_STAR

IUPAC NAME
(3R,5R,6S,7S,9R,11E,13S,14R)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylazaniumyl)-beta-D-xylo-hexopyranoside [ IUPAC ]

charge

+1

formula

C28H48NO8

has obo namespace

chebi_ontology

has related synonym

pikromycin

id

CHEBI:76800

inchi

InChI=1S/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/p+1/b12-11+/t15-,16+,17-,18+,19-,20+,22-,24-,25+,27+,28+/m1/s1

inchikey

UZQBOFAUUTZOQE-VSLWXVDYSA-O

mass

526.68260

monoisotopicmass

526.33744

smiles

CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)[NH+](C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C\[C@]1(C)O