Structure database (LMSD)

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LM IDLMPK04000017
Common NameMaytansine (W)
Systematic Name-
Synonyms-
Exact Mass
691.2872 (neutral)    Calculate m/z:
FormulaC34H46ClN3O10
CategoryPolyketides [PK]
Main ClassMacrolides and lactone polyketides [PK04]
Sub Class-
PubChem CID5281828
KEGG IDC10606
InChIKeyWKPWGQKGSOKKOO-RSFHAFMBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30
-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-
8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18
-11+/t19-,20+,25+,26-,27+,30+,33+,34+/m1/s1
SMILES[C@@]12(C)O[C@@]1([H])[C@H](C)[C@@]1([H])OC(N[C@@](O)([C@H](OC)C=CC=C(C)CC3=CC(O
C)=C(Cl)C(=C3)N(C)C(=O)C[C@@H]2OC(=O)[C@H](C)N(C)C(=O)C)C1)=O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms48Rings4Aromatic Rings1Rotatable Bonds6
 van der Waals
Molecular Volume
648.77Topological Polar
Surface Area
158.54Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
12
 logP5.54Molar
Refractivity
180.21