Structure Database (LMSD)

Common Name
OH-Chlorobactene
Systematic Name
Synonyms
LM ID
LMPR01070165
Formula
C40H54O
Exact Mass
Calculate m/z
550.417465
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

Biological Context

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Chlorobaculum tepidum (#1097)
Chlorobiia (#191410)
New carotenoids from the thermophilic green sulfur bacterium Chlorobium tepidum: 1',2'-dihydro-gamma-carotene, 1',2'-dihydrochlorobactene, and OH-chlorobactene glucoside ester, and the carotenoid composition of different strains.,
Arch Microbiol, 1997
Pubmed ID: 9297463

String Representations

InChiKey (Click to copy)
RIDGLTKNIODKLC-YWCRMUQNSA-N
InChi (Click to copy)
InChI=1S/C40H54O/c1-31(19-13-21-33(3)22-14-23-34(4)25-16-30-40(9,10)41)17-11-12-18-32(2)20-15-24-35(5)26-29-39-37(7)28-27-36(6)38(39)8/h11-15,17-24,26-29,41H,16,25,30H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,29-26+,31-17+,32-18+,33-21+,34-23+,35-24+
SMILES (Click to copy)
C1(=C(C)C=CC(C)=C1C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(C)O

Other Databases

KEGG ID
C15911
CHEBI ID
80169
LIPIDBANK ID
VCA1083
PubChem CID
10099075
Carotenoid ID
CA00711

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 1
Aromatic Rings 1
Rotatable Bonds 14
Van der Waals Molecular Volume 651.77
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 11.81
Molar Refractivity 185.69

Admin

Created at
-
Updated at
1st Mar 2021