CHEBI:221150 - Pradimicin FB

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Pradimicin FB
ChEBI ID CHEBI:221150
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H36N2O15
Net Charge 0
Average Mass 724.672
Monoisotopic Mass 724.21157
InChI InChI=1S/C35H36N2O15/c1-10-5-16-22(28(43)19(10)33(47)37-17(9-38)34(48)49)21-14(27(42)32(16)52-35-31(46)30(45)24(36-3)11(2)51-35)8-15-23(29(21)44)26(41)13-6-12(50-4)7-18(39)20(13)25(15)40/h5-8,11,17,24,27,30-32,35-36,38-39,42-46H,9H2,1-4H3,(H,37,47)(H,48,49)/t11-,17+,24+,27+,30+,31-,32+,35+/m1/s1
InChIKey YLKHGLQUCDIHFA-RJBVGEQSSA-N
SMILES O=C1C2=C(O)C=3C4=C(O)C(=C(C)C=C4[C@H](O[C@@H]5O[C@@H]([C@H](NC)[C@@H]([C@H]5O)O)C)[C@H](C3C=C2C(=O)C6=C1C=C(OC)C=C6O)O)C(=O)N[C@H](C(=O)O)CO
Metabolite of Species Details
Actinomadura (NCBI:txid1988) See: PubMed
ChEBI Ontology
Outgoing Pradimicin FB (CHEBI:221150) is a quinone (CHEBI:36141)
Pradimicin FB (CHEBI:221150) is a tetracenes (CHEBI:51270)
IUPAC Name
(2S)-2-[[(5S,6S)-5-[(2S,3R,4S,5R,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]-3-hydroxypropanoic acid
Manual Xref Database
78442898 ChemSpider
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