CHEBI:77195 - 10-carboxy-13-deoxydaunorubicin

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ChEBI Name 10-carboxy-13-deoxydaunorubicin
ChEBI ID CHEBI:77195
Definition An anthracycline antibiotic that is 13-deoxydaunorubicin substituted at position 10 by a carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB9463336, eMolecules:30512482, eMolecules:2726153, ZINC000003881958
Download Molfile XML SDF
Formula C28H31NO11
Net Charge 0
Average Mass 557.54580
Monoisotopic Mass 557.18971
InChI InChI=1S/C28H31NO11/c1-4-28(37)9-14(40-15-8-12(29)22(30)10(2)39-15)17-18(21(28)27(35)36)26(34)19-20(25(17)33)24(32)16-11(23(19)31)6-5-7-13(16)38-3/h5-7,10,12,14-15,21-22,30,33-34,37H,4,8-9,29H2,1-3H3,(H,35,36)/t10-,12-,14-,15-,21-,22+,28+/m0/s1
InChIKey ROYGEIBVSIXOBH-QWWLYEKJSA-N
SMILES CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c2c(O)c3C(=O)c4c(OC)cccc4C(=O)c3c(O)c2[C@H]1C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via anthracycline antibiotic )
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via anthracycline )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 10-carboxy-13-deoxydaunorubicin (CHEBI:77195) has functional parent daunorubicin (CHEBI:41977)
10-carboxy-13-deoxydaunorubicin (CHEBI:77195) is a p-quinones (CHEBI:25830)
10-carboxy-13-deoxydaunorubicin (CHEBI:77195) is a aminoglycoside (CHEBI:47779)
10-carboxy-13-deoxydaunorubicin (CHEBI:77195) is a anthracycline antibiotic (CHEBI:49322)
10-carboxy-13-deoxydaunorubicin (CHEBI:77195) is a deoxy hexoside (CHEBI:35315)
10-carboxy-13-deoxydaunorubicin (CHEBI:77195) is a hydroxy monocarboxylic acid (CHEBI:35868)
10-carboxy-13-deoxydaunorubicin (CHEBI:77195) is a monosaccharide derivative (CHEBI:63367)
10-carboxy-13-deoxydaunorubicin (CHEBI:77195) is tautomer of 10-carboxy-13-deoxydaunorubicin zwitterion (CHEBI:77076)
Incoming 10-carboxy-13-deoxydaunorubicin zwitterion (CHEBI:77076) is tautomer of 10-carboxy-13-deoxydaunorubicin (CHEBI:77195)
IUPAC Name
(1R,2R,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid
Manual Xref Database
CPD-15740 MetaCyc
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Last Modified
06 June 2016