Structure Database (LMSD)

Common Name
OH-Chlorobactene glucoside
Systematic Name
Synonyms
LM ID
LMPR01070166
Formula
C46H64O6
Exact Mass
Calculate m/z
712.47029
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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)
GYOAOIUWKMSJGW-SAGFKILGSA-N
InChi (Click to copy)
InChI=1S/C46H64O6/c1-32(17-11-12-18-33(2)20-15-24-36(5)26-29-40-38(7)28-27-37(6)39(40)8)19-13-21-34(3)22-14-23-35(4)25-16-30-46(9,10)52-45-44(50)43(49)42(48)41(31-47)51-45/h11-15,17-24,26-29,41-45,47-50H,16,25,30-31H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,29-26+,32-17+,33-18+,34-21+,35-23+,36-24+/t41-,42-,43+,44-,45+/m1/s1
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(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)(C)C

Other Databases

KEGG ID
C15914
CHEBI ID
80172
LIPIDBANK ID
VCA1084
PubChem CID
23724603
Carotenoid ID
CA00713

Calculated Physicochemical Properties

Heavy Atoms 52
Rings 2
Aromatic Rings 1
Rotatable Bonds 17
Van der Waals Molecular Volume 787.16
Topological Polar Surface Area 101.45
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 11.35
Molar Refractivity 221.38

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Created at
-
Updated at
1st Mar 2021