Search MNXref
 Feedback

cytosinine

PropertiesImage
MNX_IDMNXM147457 Image of MNXM147457
referencemetacycM:CPD-17163
formulaC10H12N4O4
global charge0
mol weight252.23
InChIKeyBCIARWGCSQRQRH-ARDNSNSESA-N
InChIInChI=1S/C10H12N4O4/c11-5-1-2-7(18-8(5)9(15)16)14-4-3-6(12)13-10(14)17/h1-5,7-8H,11H2,(H,15,16)(H2,12,13,17)/t5-,7+,8-/m0/s1
SMILESNC1=NC(=O)N([C@H]2C=C[C@H]([NH3+])[C@@H](C(=O)[O-])O2)C=C1
MNX internals
InChI (mnx)InChI=1/C10H12N4O4/c11-5-1-2-7(18-8(5)9(15)16)14-4-3-6(12)13-10(14)17/h1-5,7-8H,11H2,(H,15,16)(H2,12,13,17)/t5-,7+,8-/m0/s1 Image of MNXM147457
SMILES (mnx)[CH:1]1=[CH:2][C@H:7]([N:14]2[CH:4]=[CH:3][C:6](=[NH:12])[N:13]=[C:10]2[OH:17])[O:18][C@H:8]([C:9](=[O:15])[OH:16])[C@H:5]1[NH2:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-17163
metacycM:CPD-17163
seed.compound:cpd35390
seedM:cpd35390
BCIARWGCSQRQRH-ARDNSNSESA-N 		cytosinine

seedM:M_cpd35390 		secondary/obsolete/fantasy identifier