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:69415 - 5''-dihydrohygromycin A
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
5''-dihydrohygromycin A
ChEBI ID
CHEBI:69415
Definition
A natural product found in
Streptomyces
species.
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
Formula
C23H31NO12
Net Charge
0
Average Mass
513.49170
Monoisotopic Mass
513.18463
InChI
InChI=1S/C23H31NO12/c1-
8(22(32)
24-
13-
14(27)
16(29)
21-
20(15(13)
28)
33-
7-
34-
21)
5-
10-
3-
4-
12(11(26)
6-
10)
35-
23-
18(31)
17(30)
19(36-
23)
9(2)
25/h3-
6,9,13-
21,23,25-
31H,7H2,1-
2H3,(H,24,32)
/b8-
5+/t9-
,13+,14-
,15+,16+,17-
,18-
,19+,20-
,21+,23+/m0/s1
InChIKey
STCSTCYFNDYMLS-CXUMOKCHSA-N
SMILES
[H]
[C@@]
1(O[C@@H]
(Oc2ccc(\C=C(/C)
C(=O)
N[C@@H]
3[C@H]
(O)
[C@@H]
(O)
[C@@]
4([H]
)
OCO[C@@]
4([H]
)
[C@@H]
3O)
cc2O)
[C@@H]
(O)
[C@@H]
1O)
[C@H]
(C)
O
Metabolite of Species
Details
Streptomyces
sp.
(NCBI:txid1931)
Found in latex
(BTO:0000710)
. Previous component: resin; MeOH extract of cell mass and HP20 resin of strain C34 See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5''-dihydrohygromycin A (
CHEBI:69415
)
has role
metabolite (
CHEBI:25212
)
5''-dihydrohygromycin A (
CHEBI:69415
)
is a
hydroxycinnamic acid (
CHEBI:24689
)
Synonym
Source
(E)-
N-
[(3aS,4R,5R,6S,7R,7aR)-
4,6,7-
trihydroxy-
3a,4,5,6,7,7a-
hexahydro-
1,3-
benzodioxol-
5-
yl]-
3-
[4-
[(2S,3S,4S,5R)-
3,4-
dihydroxy-
5-
[(1S)-
1-
hydroxyethyl]oxolan-
2-
yl]oxy-
3-
hydroxyphenyl]-
2-
methylprop-
2-
enamide
ChEBI
Citation
Type
Source
21879726
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:cinnamamides(CHEBI:23247); ISA:glycoside(CHEBI:24400); ISA:olefinic compound(CHEBI:78840); ISA:amino cyclitol(CHEBI:61689); ISA:aromatic ether(CHEBI:35618); ISA:phenols(CHEBI:33853); ISA:primary aliphatic amine(CHEBI:17062); ISA:monosaccharide(CHEBI:35381); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:oxolanes(CHEBI:26912); ISA:dioxolane(CHEBI:39430); ISA:secondary alcohol(CHEBI:35681); ISA:carboxamide(CHEBI:37622); ISA:polyol(CHEBI:26191); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:amine(CHEBI:32952); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic alcohol(CHEBI:33854);