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nitrocefin

MNXM731675 is deprecated and replaced by MNXM731674

Properties

Image

Occurences in reactions

MNX_ID

MNXM731674

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₁H₁₅N₄O₈S₂

charge

-1

mass

515.03368

reference

metacycM:CPD-9234

InChIKey

LHNIIDJCEODSHA-OQRUQETBSA-M

InChI

InChI=1S/C21H16N4O8S2/c26-16(9-14-2-1-7-34-14)22-17-19(27)23-18(21(28)29)12(10-35-20(17)23)4-3-11-5-6-13(24(30)31)8-15(11)25(32)33/h1-8,17,20H,9-10H2,(H,22,26)(H,28,29)/p-1/b4-3+/t17-,20-/m1/s1

SMILES

O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CS[C@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-9234 metacycM:CPD-9234	nitrocefin (7R)-3-((E)-2,4-Dinitrostyryl)-7-(2-thienylacetamido)-3-cephem-4-carboxylic acid
seed.compound:cpd25613 seedM:cpd25613	(7R)-3-((E)-2,4-Dinitrostyryl)-7-(2-thienylacetamido)-3-cephem-4-carboxylic acid nitrocefin
sabiork.compound:18836 sabiorkM:18836	Nitrocefin
seedM:M_cpd25613	secondary/obsolete/fantasy identifier