Cadeguomycin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H14N4O7
Molecular Weight	326.2622
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NC(=O)C2=C(N1)N(C=C2C(O)=O)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O

InChI

InChIKey=LVTNUSALLLYISD-KQYNXXCUSA-N

InChI=1S/C12H14N4O7/c13-12-14-8-5(9(20)15-12)3(11(21)22)1-16(8)10-7(19)6(18)4(2-17)23-10/h1,4,6-7,10,17-19H,2H2,(H,21,22)(H3,13,14,15,20)/t4-,6-,7-,10-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C12H14N4O7
Molecular Weight	326.2622
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:50:26 GMT 2025` Edited by `admin` on `Mon Mar 31 21:50:26 GMT 2025`
Record UNII	M6VSQ4C59Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Cadeguomycin

Common Name

English

1H-Pyrrolo[2,3-d]pyrimidine-5-carboxylic acid, 2-amino-4,7-dihydro-4-oxo-7-?-D-ribofuranosyl-

Preferred Name

English

3H-Pyrrolo[2,3-d]pyrimidine-5-carboxylic acid, 2-amino-4,7-dihydro-4-oxo-7-?-D-ribofuranosyl-

Systematic Name

English

2-Amino-4,7-dihydro-4-oxo-7-?-D-ribofuranosyl-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

Systematic Name

English

Code System Code Type Description

CAS

81645-08-1

Created by admin on Mon Mar 31 21:50:26 GMT 2025 , Edited by admin on Mon Mar 31 21:50:26 GMT 2025

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EPA CompTox

DTXSID701002111

Created by admin on Mon Mar 31 21:50:26 GMT 2025 , Edited by admin on Mon Mar 31 21:50:26 GMT 2025

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FDA UNII

M6VSQ4C59Z

Created by admin on Mon Mar 31 21:50:26 GMT 2025 , Edited by admin on Mon Mar 31 21:50:26 GMT 2025

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PUBCHEM

133738

Created by admin on Mon Mar 31 21:50:26 GMT 2025 , Edited by admin on Mon Mar 31 21:50:26 GMT 2025

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