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Leukotriene C4 methyl ester

CAT: 0024-sc-205370Size: 25 µgDry Ice: NoHazardous: No
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CAT#:0024-sc-205370Size:25 µg
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CAS Number
73958-10-8

Chemical Information

L-gamma-Glutamyl-S-((1R,2E,4E,6Z,9Z)-1-((1S)-1-hydroxy-5-methoxy-5-oxopentyl)-2,4,6,9-pentadecatetraen-1-yl)-L-cysteinylglycine

Leukotriene C4 methyl ester is the methyl ester of leukotriene C4, the esterified acid group being the one forming position 1 of the icosatetraenyl chain. Leukotriene C4 methyl ester is a more lipid-soluble form of leukotriene C4. It is a leukotriene and a methyl ester. It is functionally related to a leukotriene C4.

CAS Number73958-10-8
PubChem CID101070933
IUPAC Name(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(5S,6R,7E,9E,11Z,14Z)-5-hydroxy-1-methoxy-1-oxoicosa-7,9,11,14-tetraen-6-yl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC31H49N3O9S
Molecular Weight639.8
XLogP1
Topological Polar Surface Area231
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count26
Heavy Atom Count44
Formal Charge0
Complexity998
SMILES
CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)OC)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C31H49N3O9S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-26(25(35)16-15-18-29(39)43-2)44-22-24(30(40)33-21-28(37)38)34-27(36)20-19-23(32)31(41)42/h7-8,10-14,17,23-26,35H,3-6,9,15-16,18-22,32H2,1-2H3,(H,33,40)(H,34,36)(H,37,38)(H,41,42)/b8-7-,11-10-,13-12+,17-14+/t23-,24-,25-,26+/m0/s1
InChIKey
NEICPYXCIYSWOH-UYCXAPQFSA-N
Chemical Structure
2D Structure
2D structure of L-gamma-Glutamyl-S-((1R,2E,4E,6Z,9Z)-1-((1S)-1-hydroxy-5-methoxy-5-oxopentyl)-2,4,6,9-pentadecatetraen-1-yl)-L-cysteinylglycine
CAS: 73958-10-8
CID: 101070933
Formula: C31H49N3O9S
MW: 639.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight639.8
XLogP31
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count26
Exact Mass639.31895132
Monoisotopic Mass639.31895132
Topological Polar Surface Area231 Ų
Heavy Atom Count44
Formal Charge0
Complexity998
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-205407AN-methyl Leukotriene C4
sc-205407N-methyl Leukotriene C4
sc-205407BN-methyl Leukotriene C4
sc-221848ALeukotriene E4 methyl ester
sc-221848Leukotriene E4 methyl ester
sc-221846ALeukotriene D4 methyl ester
sc-221846Leukotriene D4 methyl ester
sc-221842ALeukotriene A4-d5 methyl ester
sc-200490LTA3 (Leukotriene A3 methyl ester)
sc-200490ALTA3 (Leukotriene A3 methyl ester)

Alternative Products

CatalogName
IDA85138Leukotriene A3 methyl ester
T37616-01Leukotriene A4 methyl ester
T37620-01Leukotriene C4 methyl ester
HY-W747562Leukotriene A 3 methyl ester
453666-01Leukotriene E4 methyl ester
453937-01LTA4 (Leukotriene A4 methyl ester)
453936-01LTA3 (Leukotriene A3 methyl ester)
HY-126716SLeukotriene C4-d5 methyl ester
HY-16333614,15-Leukotriene A4 methyl ester
MBS565782-0114, 15-Leukotriene A4 methyl ester

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