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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H10O7
Molecular Weight 206.1501
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYLCITRIC ACID, (2R,3S)-

SMILES

C[C@H](C(O)=O)[C@](O)(CC(O)=O)C(O)=O

InChI

InChIKey=YNOXCRMFGMSKIJ-WVBDSBKLSA-N
InChI=1S/C7H10O7/c1-3(5(10)11)7(14,6(12)13)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t3-,7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C7H10O7
Molecular Weight 206.1501
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:02:30 GMT 2023
Edited
by admin
on Sat Dec 16 08:02:30 GMT 2023
Record UNII
85HL9Z9ATZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYLCITRIC ACID, (2R,3S)-
Systematic Name English
(2R,3S)-2-METHYLCITRIC ACID
Common Name English
D-THREO-PENTARIC ACID, 3-C-CARBOXY-2,4-DIDEOXY-2-METHYL-
Systematic Name English
(2R,3S)-2-HYDROXYBUTANE-1,2,3-TRICARBOXYLATE
Common Name English
2-METHYLCITRIC ACID, D-THREO-
Common Name English
METHYLCITRATE, (2R,3S)-
Common Name English
(2R,3S)-METHYLCITRATE
Common Name English
Code System Code Type Description
PUBCHEM
439681
Created by admin on Sat Dec 16 08:02:30 GMT 2023 , Edited by admin on Sat Dec 16 08:02:30 GMT 2023
PRIMARY
CAS
64815-79-8
Created by admin on Sat Dec 16 08:02:30 GMT 2023 , Edited by admin on Sat Dec 16 08:02:30 GMT 2023
PRIMARY
FDA UNII
85HL9Z9ATZ
Created by admin on Sat Dec 16 08:02:30 GMT 2023 , Edited by admin on Sat Dec 16 08:02:30 GMT 2023
PRIMARY
CHEBI
10860
Created by admin on Sat Dec 16 08:02:30 GMT 2023 , Edited by admin on Sat Dec 16 08:02:30 GMT 2023
PRIMARY
CHEBI
30836
Created by admin on Sat Dec 16 08:02:30 GMT 2023 , Edited by admin on Sat Dec 16 08:02:30 GMT 2023
PRIMARY