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CHEBI:199247 - Maytansinol-9-methyl ether-3-propionate

ChEBI IDCHEBI:199247
ChEBI NameMaytansinol-9-methyl ether-3-propionate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H43ClN2O9
Net Charge0
Average Mass635.154
Monoisotopic Mass634.26571
SMILESCCC(=O)O[C@H]1CC(=O)N(C)c2cc(cc(OC)c2Cl)C/C(C)=C/C=C/[C@@H](OC)[C@@]2(OC)C[C@H](OC(=O)N2)[C@@H](C)[C@@H]2O[C@@]12C
InChIInChI=1S/C32H43ClN2O9/c1-9-27(37)43-25-16-26(36)35(5)21-14-20(15-22(39-6)28(21)33)13-18(2)11-10-12-24(40-7)32(41-8)17-23(42-30(38)34-32)19(3)29-31(25,4)44-29/h10-12,14-15,19,23-25,29H,9,13,16-17H2,1-8H3,(H,34,38)/b12-10+,18-11+/t19-,23+,24-,25+,29+,31+,32+/m1/s1
InChIKeySPMKSUQFIONEER-VPHPHSGVSA-N
Species of MetaboliteComponentSourceComments
Actinosynnema (ncbitaxon:40566) - PubMed (23061718)
ChEBI Ontology
Outgoing Relation(s)
Maytansinol-9-methyl ether-3-propionate (CHEBI:199247) is a azamacrocycle (CHEBI:52898)
Maytansinol-9-methyl ether-3-propionate (CHEBI:199247) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-12,20,21-trimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] propanoate
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78442475ChemSpider