Structure Database (LMSD)
Common Name
TMC-1D
Systematic Name
(2E)-N-[(3S,4R)-3,4-dihydroxy-3-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-6-oxocyclohexen-1-yl]-4,6-dimethyldec-2-enamide
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of TMC-1D
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
VAHXVYDDBKCOFD-NGQXCVFISA-N
InChi (Click to copy)
InChI=1S/C30H40N2O7/c1-4-5-10-20(2)17-21(3)12-15-28(38)31-22-19-30(39,26(36)18-25(22)35)16-9-7-6-8-11-27(37)32-29-23(33)13-14-24(29)34/h6-9,11-12,15-16,19-21,26,33,36,39H,4-5,10,13-14,17-18H2,1-3H3,(H,31,38)(H,32,37)/b7-6+,11-8+,15-12+,16-9+/t20?,21?,26-,30+/m1/s1
SMILES (Click to copy)
C(=C/C=C/C=C/C(=O)NC1=C(O)CCC1=O)\[C@@]1(C=C(C(=O)C[C@H]1O)NC(=O)/C=C/C(C)CC(C)CCCC)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Streptomyces sp. A-230
(#2033434)
Actinomycetia
(#1760)
TMC-1 A, B, C and D, new antibiotics of the manumycin group produced by Streptomyces sp. Taxonomy, production, isolation, physico-chemical properties, structure elucidation and biological properties.,
J Antibiot (Tokyo), 1996
J Antibiot (Tokyo), 1996
Pubmed ID:
9031666
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
39
Rings
2
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
559.97
Topological Polar Surface Area
153.03
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
9
logP
3.95
Molar Refractivity
148.90
Admin
Created at
-
Updated at
13th Sep 2021