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

Details

Stereochemistry ABSOLUTE
Molecular Formula C54H90N6O18
Molecular Weight 1111.3218
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VALINOMYCIN

SMILES

CC(C)[C@@H]1NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C

InChI

InChIKey=FCFNRCROJUBPLU-DNDCDFAISA-N
InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m0/s1

HIDE SMILES / InChI

Molecular Formula C54H90N6O18
Molecular Weight 1111.3218
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:28:37 UTC 2023
Edited
by admin
on Sat Dec 16 08:28:37 UTC 2023
Record UNII
N561YS75MN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VALINOMYCIN
HSDB   MI  
Common Name English
ANTIBIOTIC N-329 B
Common Name English
IONOPHORE ANTIBIOTIC PRODUCED BY STREPTOMYCES FULVISSIMUS
Common Name English
CYCLIC(D-.ALPHA.-HYDROXYISOVALERYL-D-VALYL-L-LACTOYL-L-VALYL- D-.ALPHA.-HYDROXYISOVALERYL-D-VALYL-L-LACTOYL-L-VALYL-D-.ALPHA.- HYDROXYISOVALERYL-D-VALYL-L-LACTOYL-L-VALYL)
Systematic Name English
VALINOMYCIN [MI]
Common Name English
NSC-122023
Code English
VALINOMYCIN [HSDB]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1976
Created by admin on Sat Dec 16 08:28:37 UTC 2023 , Edited by admin on Sat Dec 16 08:28:37 UTC 2023
Code System Code Type Description
HSDB
6423
Created by admin on Sat Dec 16 08:28:37 UTC 2023 , Edited by admin on Sat Dec 16 08:28:37 UTC 2023
PRIMARY
MESH
D014634
Created by admin on Sat Dec 16 08:28:37 UTC 2023 , Edited by admin on Sat Dec 16 08:28:37 UTC 2023
PRIMARY
PUBCHEM
3000706
Created by admin on Sat Dec 16 08:28:37 UTC 2023 , Edited by admin on Sat Dec 16 08:28:37 UTC 2023
PRIMARY
NSC
122023
Created by admin on Sat Dec 16 08:28:37 UTC 2023 , Edited by admin on Sat Dec 16 08:28:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID9041150
Created by admin on Sat Dec 16 08:28:37 UTC 2023 , Edited by admin on Sat Dec 16 08:28:37 UTC 2023
PRIMARY
ECHA (EC/EINECS)
217-896-6
Created by admin on Sat Dec 16 08:28:37 UTC 2023 , Edited by admin on Sat Dec 16 08:28:37 UTC 2023
PRIMARY
DRUG BANK
DB14057
Created by admin on Sat Dec 16 08:28:37 UTC 2023 , Edited by admin on Sat Dec 16 08:28:37 UTC 2023
PRIMARY
MERCK INDEX
m11366
Created by admin on Sat Dec 16 08:28:37 UTC 2023 , Edited by admin on Sat Dec 16 08:28:37 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C924
Created by admin on Sat Dec 16 08:28:37 UTC 2023 , Edited by admin on Sat Dec 16 08:28:37 UTC 2023
PRIMARY
FDA UNII
N561YS75MN
Created by admin on Sat Dec 16 08:28:37 UTC 2023 , Edited by admin on Sat Dec 16 08:28:37 UTC 2023
PRIMARY
CAS
2001-95-8
Created by admin on Sat Dec 16 08:28:37 UTC 2023 , Edited by admin on Sat Dec 16 08:28:37 UTC 2023
PRIMARY
WIKIPEDIA
VALINOMYCIN
Created by admin on Sat Dec 16 08:28:37 UTC 2023 , Edited by admin on Sat Dec 16 08:28:37 UTC 2023
PRIMARY
CHEBI
28545
Created by admin on Sat Dec 16 08:28:37 UTC 2023 , Edited by admin on Sat Dec 16 08:28:37 UTC 2023
PRIMARY
Related Record Type Details
TRANSPORTER -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY