CHEBI:3303 - calcein am

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name calcein am
ChEBI ID CHEBI:3303
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:51904
Supplier Information
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Formulae C46H46N2O23
C46H46N2O23
Net Charge 0
Average Mass 994.85712
Monoisotopic Mass 994.24914
InChI InChI=1S/C46H46N2O23/c1-25(49)60-21-64-41(55)17-47(18-42(56)65-22-61-26(2)50)15-31-11-35-39(13-37(31)68-29(5)53)70-40-14-38(69-30(6)54)32(12-36(40)46(35)34-10-8-7-9-33(34)45(59)71-46)16-48(19-43(57)66-23-62-27(3)51)20-44(58)67-24-63-28(4)52/h7-14H,15-24H2,1-6H3
InChIKey BQRGNLJZBFXNCZ-UHFFFAOYSA-N
SMILES CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)Cc1cc2c(Oc3cc(OC(C)=O)c(CN(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)cc3C22OC(=O)c3ccccc23)cc1OC(C)=O
ChEBI Ontology
Outgoing calcein am (CHEBI:3303) has functional parent pentacarboxylic acid (CHEBI:35743)
calcein am (CHEBI:3303) is a organooxygen compound (CHEBI:36963)
Synonym Source
Calcein AM KEGG COMPOUND
Manual Xref Database
C11257 KEGG COMPOUND
View more database links
Registry Number Type Source
148504-34-1 CAS Registry Number KEGG COMPOUND
Last Modified
23 June 2014