CHEBI:77073 - rhodomycin D(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name rhodomycin D(1+)
ChEBI ID CHEBI:77073
Definition An organic cation that is the conjugate acid of rhodomycin 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
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Formula C28H32NO11
Net Charge +1
Average Mass 558.55320
Monoisotopic Mass 558.19699
InChI InChI=1S/C28H31NO11/c1-4-28(37)9-14(40-15-8-12(29)22(31)10(2)39-15)17-18(21(28)27(36)38-3)26(35)19-20(25(17)34)24(33)16-11(23(19)32)6-5-7-13(16)30/h5-7,10,12,14-15,21-22,30-31,34-35,37H,4,8-9,29H2,1-3H3/p+1/t10-,12-,14-,15-,21-,22+,28+/m0/s1
InChIKey CADJZGPRUYOSGU-QWWLYEKJSA-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(O)cccc4C(=O)c3c(O)c2[C@H]1C(=O)OC
ChEBI Ontology
Outgoing rhodomycin D(1+) (CHEBI:77073) is a ammonium ion derivative (CHEBI:35274)
rhodomycin D(1+) (CHEBI:77073) is a organic cation (CHEBI:25697)
rhodomycin D(1+) (CHEBI:77073) is conjugate acid of rhodomycin D (CHEBI:32096)
Incoming rhodomycin D (CHEBI:32096) is conjugate base of rhodomycin D(1+) (CHEBI:77073)
IUPAC Name
(1S,3R,4R)-3-ethyl-3,5,10,12-tetrahydroxy-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
rhodomycin D UniProt
rhodomycinone D SUBMITTER
Manual Xref Database
CPD-15730 MetaCyc
View more database links
Citation Waiting for Citations Type Source
9098063 PubMed citation SUBMITTER
Last Modified
31 January 2014