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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H38N10O17P2S
Molecular Weight 904.692
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-8ALPHA-FAD CYSTEINE

SMILES

CC1=CC2=C(C=C1CSC[C@H](N)C(O)=O)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N4C=NC5=C4N=CN=C5N)C6=NC(=O)NC(=O)C6=N2

InChI

InChIKey=HBBFESKURRDWOU-DYPSDVMVSA-N
InChI=1S/C30H38N10O17P2S/c1-11-2-14-15(3-12(11)7-60-8-13(31)29(47)48)39(26-20(36-14)27(46)38-30(49)37-26)4-16(41)21(43)17(42)5-54-58(50,51)57-59(52,53)55-6-18-22(44)23(45)28(56-18)40-10-35-19-24(32)33-9-34-25(19)40/h2-3,9-10,13,16-18,21-23,28,41-45H,4-8,31H2,1H3,(H,47,48)(H,50,51)(H,52,53)(H2,32,33,34)(H,38,46,49)/t13-,16-,17+,18+,21-,22+,23+,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H38N10O17P2S
Molecular Weight 904.692
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:51:25 GMT 2023
Edited
by admin
on Sat Dec 16 12:51:25 GMT 2023
Record UNII
N124966P04
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
S-8ALPHA-FAD CYSTEINE
Common Name English
RIBOFLAVIN 5'-(TRIHYDROGEN DIPHOSPHATE), .ALPHA.8-((2-AMINO-2-CARBOXYETHYL)THIO)-, P'->5' ESTER WITH ADENOSINE, (R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
126961351
Created by admin on Sat Dec 16 12:51:25 GMT 2023 , Edited by admin on Sat Dec 16 12:51:25 GMT 2023
PRIMARY
FDA UNII
N124966P04
Created by admin on Sat Dec 16 12:51:25 GMT 2023 , Edited by admin on Sat Dec 16 12:51:25 GMT 2023
PRIMARY
CAS
60575-37-3
Created by admin on Sat Dec 16 12:51:25 GMT 2023 , Edited by admin on Sat Dec 16 12:51:25 GMT 2023
PRIMARY