LSD

Lasalocid A

Created:	2015-01-09
Last modified:	2021-03-13

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1 entries where LSD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	96
Chiral Atom Count	10
Bond Count	98
Aromatic Bond Count	6

2D diagram of LSD

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Chemical Component Summary
Name	Lasalocid A
Synonyms	6-[(3R,4S,5S,7R)-7-{(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methyltetrahydrofuran-2-yl}-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
Systematic Name (OpenEye OEToolkits)	6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-6-methyl-5-oxidanyl-oxan-2-yl]-3-methyl-oxolan-2-yl]-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-nonyl]-3-methyl-2-oxidanyl-benzoic acid
Formula	C₃₄ H₅₄ O₈
Molecular Weight	590.788
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c1c(O)c(ccc1CCC(C)C(O)C(C(=O)C(CC)C2OC(CC2C)(C3OC(C)C(O)(CC)CC3)CC)C)C
SMILES	CACTVS	3.385	CC[CH]([CH]1O[C](CC)(C[CH]1C)[CH]2CC[C](O)(CC)[CH](C)O2)C(=O)[CH](C)[CH](O)[CH](C)CCc3ccc(C)c(O)c3C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CCC(C1C(CC(O1)(CC)C2CCC(C(O2)C)(CC)O)C)C(=O)C(C)C(C(C)CCc3ccc(c(c3C(=O)O)O)C)O
Canonical SMILES	CACTVS	3.385	CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc3ccc(C)c(O)c3C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@@]([C@@H](O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C)CCc3ccc(c(c3C(=O)O)O)C)O
InChI	InChI	1.03	InChI=1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+/m1/s1
InChIKey	InChI	1.03	BBMULGJBVDDDNI-OWKLGTHSSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB11423
Name	Lasalocid
Groups	vet_approved
Description	Lasalocid is an agent that presents antibacterial and coccidiostat activities. It is produced by strains of _Streptomyces lasaliensis_.
Synonyms	Lasalocid
Categories	Anti-Bacterial Agents Anti-Infective Agents Antiparasitic Agents Antiprotozoals Coccidiostats Compounds used in a research, industrial, or household setting Ethers Ethers, Cyclic Furans Ionophores Lactones Membrane Transport Modulators Polyether Polyketides Polyketides
CAS number	25999-31-9

Related Resource References

Resource Name	Reference
PubChem	5360807
ChEMBL	CHEMBL145347
ChEBI	CHEBI:92181

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.