CHEBI:140330 - (13R)-13-dihydrocarminomycin(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (13R)-13-dihydrocarminomycin(1+)
ChEBI ID CHEBI:140330
ChEBI ASCII Name (13R)-13-dihydrocarminomycin(1+)
Definition An anthracyline cation that is the conjugate acid of (13R)-13-dihydrocarminomycin, obtained by protonation of the amino group. Major microspecies at pH 7.3
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C26H30NO10
Net Charge +1
Average Mass 516.518
Monoisotopic Mass 516.18642
InChI InChI=1S/C26H29NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9-10,13,15-16,21,28-30,32,34-35H,6-8,27H2,1-2H3/p+1/t9-,10+,13-,15-,16-,21+,26-/m0/s1
InChIKey YXBSCYMMPXQFDS-LBIZDXDESA-O
SMILES C1(O)=C2C(C(C=3C(=CC=CC3O)C2=O)=O)=C(O)C4=C1C[C@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)[NH3+])([C@@H](C)O)O
ChEBI Ontology
Outgoing (13R)-13-dihydrocarminomycin(1+) (CHEBI:140330) is a anthracycline cation (CHEBI:64678)
(13R)-13-dihydrocarminomycin(1+) (CHEBI:140330) is conjugate acid of (13R)-13-dihydrocarminomycin (CHEBI:31058)
Incoming (13R)-13-dihydrocarminomycin (CHEBI:31058) is conjugate base of (13R)-13-dihydrocarminomycin(1+) (CHEBI:140330)
IUPAC Name
(1S,3S)-3,5,10,12-tetrahydroxy-3-[(1R)-1-hydroxyethyl]-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-α-L-lyxo-hexopyranoside
Synonym Source
13-dihydrocarminomycin UniProt
Manual Xref Database
CPD-15736 MetaCyc
View more database links
Last Modified
04 April 2018