Structure Database (LMSD)

Common Name
Maytansine
Systematic Name
Synonyms
LM ID
LMPK04000017
Formula
C34H46N3O10Cl
Exact Mass
Calculate m/z
691.287175
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Macrolides and lactone polyketides [PK04]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Maytenus (#123430)
Magnoliopsida (#3398)
Maytansine, a novel antileukemic ansa macrolide from Maytenus ovatus.,
J Am Chem Soc, 1972
Pubmed ID: 5062169

String Representations

InChiKey (Click to copy)
WKPWGQKGSOKKOO-RSFHAFMBSA-N
InChi (Click to copy)
InChI=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 (Click to copy)
[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(OC)=C(Cl)C(=C3)N(C)C(=O)C[C@@H]2OC(=O)[C@H](C)N(C)C(=O)C)C1)=O

Other Databases

Wikipedia
Maytansine
KEGG ID
C10606
CHEBI ID
6701
PubChem CID
5281828
Cayman ID
36062
PDB ID
3GT

Calculated Physicochemical Properties

Heavy Atoms 48
Rings 4
Aromatic Rings 1
Rotatable Bonds 6
Van der Waals Molecular Volume 648.77
Topological Polar Surface Area 158.54
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 13
logP 5.54
Molar Refractivity 180.21

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Created at
-
Updated at
12th Dec 2023