MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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dZDP

	Properties	Image
MNX_ID	MNXM1129323
reference	chebi:172929
formula	C₁₀H₁₃N₆O₉P₂
global charge	-3
mol weight	423.195
InChIKey	VYJMSGDLIGSRJI-KVQBGUIXSA-K
InChI	InChI=1S/C10H16N6O9P2/c11-8-7-9(15-10(12)14-8)16(3-13-7)6-1-4(17)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,17H,1-2H2,(H,21,22)(H2,18,19,20)(H4,11,12,14,15)/p-3/t4-,5+,6+/m0/s1
SMILES	NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])[O-])O2)C(N)=N1

MNX internals

InChI (mnx)	InChI=1/C10H16N6O9P2/c11-8-7-9(15-10(12)14-8)16(3-13-7)6-1-4(17)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,17H,1-2H2,(H,21,22)(H2,18,19,20)(H4,11,12,14,15)/t4-,5+,6+/m0/s1
SMILES (mnx)	[CH2:1]1[C@H:4]([OH:17])[C@@H:5]([CH2:2][O:23][P:27]([OH:21])(=[O:22])[O:25][P:26]([OH:18])([OH:19])=[O:20])[O:24][C@H:6]1[N:16]1[CH:3]=[N:13][C:7]2=[C:8]([NH2:11])[NH:14][C:10](=[NH:12])[N:15]=[C:9]21

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:172929 chebi:172929 VYJMSGDLIGSRJI-KVQBGUIXSA-K	dZDP 2-amino-2'-deoxyadenosine 5'-diphosphate(3-)
kegg.compound:C22442 keggC:C22442 VYJMSGDLIGSRJI-KVQBGUIXSA-N	dZDP 2-Amino-2'-deoxyadenosine 5'-diphosphate
metacyc.compound:CPD-24554 metacycM:CPD-24554 VYJMSGDLIGSRJI-KVQBGUIXSA-K	dZDP 2-amino-2'-deoxyadenosine 5''-diphosphate 9-[2'-deoxy-beta-D-ribofuranosyl]-2,6-diaminopurine 5'-diphosphate
keggC:M_C22442	secondary/obsolete/fantasy identifier