Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:31456 - Daunorubicin hydrochloride
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Daunorubicin hydrochloride
ChEBI ID
CHEBI:31456
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formulae
C27H29NO10.HCl
C27H30ClNO10
Net Charge
0
Average Mass
563.982
Monoisotopic Mass
563.15582
InChI
InChI=1S/C27H29NO10.ClH/c1-
10-
22(30)
14(28)
7-
17(37-
10)
38-
16-
9-
27(35,11(2)
29)
8-
13-
19(16)
26(34)
21-
20(24(13)
32)
23(31)
12-
5-
4-
6-
15(36-
3)
18(12)
25(21)
33;/h4-
6,10,14,16-
17,22,30,32,34-
35H,7-
9,28H2,1-
3H3;1H/t10-
,14-
,16-
,17-
,22+,27-
;/m0./s1
InChIKey
GUGHGUXZJWAIAS-QQYBVWGSSA-N
SMILES
C1=CC(=C2C(=C1)
C(C=3C(C2=O)
=C(C4=C(C3O)
C[C@]
(C[C@@H]
4O[C@H]
5C[C@@H]
([C@@H]
([C@@H]
(O5)
C)
O)
N)
(C(C)
=O)
O)
O)
=O)
OC.Cl
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
anthracycline
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Daunorubicin hydrochloride (
CHEBI:31456
)
is a
anthracycline (
CHEBI:48120
)
Synonym
Source
Daunorubicin hydrochloride
KEGG COMPOUND
Manual Xref
Database
D01264
KEGG DRUG
View more database links
Registry Number
Type
Source
23541-50-6
CAS Registry Number
KEGG COMPOUND
Last Modified
06 March 2017