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Calcium hopantenate hydrate (JAN)

PropertiesImageOccurences in reactions
MNX_IDMNXM126546Image of MNXM126546
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC40H74Ca2N4O21
charge0
mass1026.40974
referencekeggD:D03255
InChIKeyNNHRASUFFPCRBJ-MIOUZRKOSA-J
InChIInChI=1S/4C10H19NO5.2Ca.H2O/c4*1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14;;;/h4*8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14);;;1H2/q;;;;2*+2;/p-4/t4*8-;;;/m0000.../s1
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)[O-].O.[Ca+2].[Ca+2]
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Similar chemical compounds in external resources
IdentifierDescription
kegg.drug:D03255
keggD:D03255
Calcium hopantenate hydrate (JAN)
Hopate (TN)
keggD:M_D03255 secondary/obsolete/fantasy identifier