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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H47N3O9S
Molecular Weight 625.774
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of LEUKOTRIENE C4

SMILES

CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O

InChI

InChIKey=GWNVDXQDILPJIG-NXOLIXFESA-N
InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H47N3O9S
Molecular Weight 625.774
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 4
Optical Activity UNSPECIFIED

Approval Year

PubMed

Patents

Substance Class Chemical
Record UNII
2CU6TT9V48
Record Status Validated (UNII)
Record Version