CHEBI:77074 - 4-O-methylrhodomycin D(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-O-methylrhodomycin D(1+)
ChEBI ID CHEBI:77074
ChEBI ASCII Name 4-O-methylrhodomycin D(1+)
Definition An organic cation that is the conjugate acid of 4-O-methylrhodomycin D, obtained by protonation of the amino group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C29H34NO11
Net Charge +1
Average Mass 572.57980
Monoisotopic Mass 572.21264
InChI InChI=1S/C29H33NO11/c1-5-29(37)10-15(41-16-9-13(30)23(31)11(2)40-16)18-19(22(29)28(36)39-4)27(35)20-21(26(18)34)25(33)17-12(24(20)32)7-6-8-14(17)38-3/h6-8,11,13,15-16,22-23,31,34-35,37H,5,9-10,30H2,1-4H3/p+1/t11-,13-,15-,16-,22-,23+,29+/m0/s1
InChIKey KPBSBYSJFXROOJ-FUXNZPHBSA-O
SMILES CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)c2c(O)c3C(=O)c4c(OC)cccc4C(=O)c3c(O)c2[C@H]1C(=O)OC
ChEBI Ontology
Outgoing 4-O-methylrhodomycin D(1+) (CHEBI:77074) is a ammonium ion derivative (CHEBI:35274)
4-O-methylrhodomycin D(1+) (CHEBI:77074) is a organic cation (CHEBI:25697)
4-O-methylrhodomycin D(1+) (CHEBI:77074) is conjugate acid of 4-O-methylrhodomycin D (CHEBI:77179)
Incoming 4-O-methylrhodomycin D (CHEBI:77179) is conjugate base of 4-O-methylrhodomycin D(1+) (CHEBI:77074)
IUPAC Name
(1S,3R,4R)-3-ethyl-3,5,12-trihydroxy-10-methoxy-4-(methoxycarbonyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-α-L-lyxo-hexopyranoside
Synonyms Sources
4-O-methylrhodomycin D UniProt
4-O-methylrhodomycinone D(1+) SUBMITTER
Manual Xref Database
CPD-15783 MetaCyc
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Citation Type Source
9098063 PubMed citation SUBMITTER
Last Modified
31 January 2014