U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C34H34N4O6
Molecular Weight 594.657
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEME L, APO

SMILES

CC1=C(CCC(O)=O)C2=NC1=CC3=C(CO)C(C=C)=C(N3)C=C4N=C(C=C5NC(=C2)C(CCC(O)=O)=C5CO)C(C=C)=C4C

InChI

InChIKey=VWTIHXOETROJJS-FKZMWPHJSA-N
InChI=1S/C34H34N4O6/c1-5-19-17(3)25-11-28-20(6-2)23(15-39)31(37-28)12-26-18(4)21(7-9-33(41)42)29(36-26)14-30-22(8-10-34(43)44)24(16-40)32(38-30)13-27(19)35-25/h5-6,11-14,37-40H,1-2,7-10,15-16H2,3-4H3,(H,41,42)(H,43,44)/b25-11-,26-12-,27-13-,28-11-,29-14-,30-14-,31-12-,32-13-

HIDE SMILES / InChI

Molecular Formula C34H32N4O6
Molecular Weight 592.6411
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:47:08 GMT 2023
Edited
by admin
on Fri Dec 15 19:47:08 GMT 2023
Record UNII
4G3626333A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEME L, APO
Common Name English
Code System Code Type Description
FDA UNII
4G3626333A
Created by admin on Fri Dec 15 19:47:08 GMT 2023 , Edited by admin on Fri Dec 15 19:47:08 GMT 2023
PRIMARY