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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H28N4O7.Mg
Molecular Weight 652.9351
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CHLOROPHYLL C3

SMILES

[Mg++].COC(=O)[C@H]1C(=O)c2c(C)c3cc4nc(cc5[n-]c(cc6nc(c(\C=C\C(O)=O)c6C)c1c2[n-]3)c(C)c5C=C)c(C(=O)OC)c4C=C

InChI

InChIKey=AXLMYDJSVAACBE-VKDSHVEMSA-L
InChI=1S/C36H30N4O7.Mg/c1-8-18-15(3)21-12-22-16(4)20(10-11-27(41)42)32(39-22)30-31(36(45)47-7)34(43)28-17(5)23(40-33(28)30)13-25-19(9-2)29(35(44)46-6)26(38-25)14-24(18)37-21;/h8-14,31H,1-2H2,3-7H3,(H3,37,38,39,40,41,42,43,44);/q;+2/p-2/b11-10+,21-12-,22-12-,23-13-,24-14-,25-13-,26-14-,32-30-;/t31-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C36H27N4O7
Molecular Weight 627.6222
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Molecular Formula Mg
Molecular Weight 24.305
Charge 2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
FMN10170B8
Record Status Validated (UNII)
Record Version