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CHEBI:220507 - Pradimicin-T1

ChEBI IDCHEBI:220507
ChEBI NamePradimicin-T1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H45NO23
Net Charge0
Average Mass931.806
Monoisotopic Mass931.23824
SMILESCc1cc2c(c(O)c1C(=O)NCC(=O)O)-c1c(cc3c(c1O)C(=O)c1cc(OC4OCC(O)C(O)C4O)cc(O)c1C3=O)[C@H](O)[C@H]2OC1OC(C)C(O)C(OC2OCC(O)C(O)C2O)C1O
InChIInChI=1S/C42H45NO23/c1-10-3-16-24(32(55)21(10)39(60)43-7-20(47)48)23-14(29(52)37(16)65-42-36(59)38(26(49)11(2)63-42)66-41-35(58)31(54)19(46)9-62-41)6-15-25(33(23)56)28(51)13-4-12(5-17(44)22(13)27(15)50)64-40-34(57)30(53)18(45)8-61-40/h3-6,11,18-19,26,29-31,34-38,40-42,44-46,49,52-59H,7-9H2,1-2H3,(H,43,60)(H,47,48)/t11?,18?,19?,26?,29-,30?,31?,34?,35?,36?,37-,38?,40?,41?,42?/m0/s1
InChIKeyGVEWVQWSVLNZPE-OWSWPROSSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - PubMed (8501002)
ChEBI Ontology
Outgoing Relation(s)
Pradimicin-T1 (CHEBI:220507) is a quinone (CHEBI:36141)
Pradimicin-T1 (CHEBI:220507) is a tetracenes (CHEBI:51270)
IUPAC Name 
2-[[(5S,6S)-5-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-11-(3,4,5-trihydroxyoxan-2-yl)oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid
Manual XrefsDatabases
78445299ChemSpider