Human Interaction Network Ontology

Last uploaded: June 27, 2014
Preferred Name

aliskiren

Synonyms

(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-2-(propan-2-yl)nonanamide

aliskiren

InChIKey=UXOWGYHJODZGMF-QORCZRPOSA-N

SPP 100

InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1

COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC

C30H53N3O6

Definitions

A monomethoxybenzene compound having a 3-methoxypropoxy group at the 2-position and a multi-substituted branched alkyl substituent at the 4-position.

ID

http://purl.obolibrary.org/obo/CHEBI_601027

database_cross_reference

DrugBank:DB01258

ChEMBL:19358611

DrugBank:173334-57-1

PDBeChem:C41

KEGG DRUG:D03208

Wikipedia:Aliskiren

ChemIDplus:173334-57-1

Beilstein:8740878

ChEMBL:19457666

KEGG DRUG:173334-57-1

definition

A monomethoxybenzene compound having a 3-methoxypropoxy group at the 2-position and a multi-substituted branched alkyl substituent at the 4-position.

has_alternative_id

CHEBI:41356

CHEBI:580746

has_exact_synonym

(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-2-(propan-2-yl)nonanamide

has_obo_namespace

chebi_ontology

has_related_synonym

aliskiren

InChIKey=UXOWGYHJODZGMF-QORCZRPOSA-N

SPP 100

InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1

COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC

C30H53N3O6

id

CHEBI:601027

imported from

http://purl.obolibrary.org/obo/chebi.owl

label

aliskiren

notation

CHEBI:601027

prefixIRI

CHEBI:601027

prefLabel

aliskiren

subClassOf

http://purl.obolibrary.org/obo/CHEBI_25235

http://purl.obolibrary.org/obo/CHEBI_37622

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_601027 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_601027 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_601027 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_601027 HUPSON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_601027 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_601027 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_601027 CHEBI SAME_URI
http://bmi.utah.edu/ontologies/hfontology/C1120110 HFO LOOM
http://purl.obolibrary.org/obo/CHEBI_601027 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_601027 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_601027 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_601027 HUPSON LOOM
http://purl.obolibrary.org/obo/CHEBI_601027 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_601027 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_601027 CHEBI LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/426725002 SNOMEDCT LOOM
http://stirdf.jst.go.jp/id/200907032124148307 IOBC LOOM
http://purl.bioontology.org/ontology/NDDF/011991 NDDF LOOM
http://purl.jp/bio/4/id/200906034155524284 IOBC LOOM
http://www.drugbank.ca/drugs/DB01258 FTC LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000176084 NDFRT LOOM
http://www.phoc.org.cn/pmo/class/PMO_00025453 PMAPP-PMO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C446481 RH-MESH LOOM
http://purl.obolibrary.org/obo/NCIT_C65222 BERO LOOM
https://go.drugbank.com/drugs/DB09026 MDM LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C65222 NCIT LOOM
http://purl.bioontology.org/ontology/VANDF/4025960 VANDF LOOM
http://purl.bioontology.org/ontology/RXNORM/325646 RXNORM LOOM
http://purl.bioontology.org/ontology/MESH/C446481 MESH LOOM
http://purl.bioontology.org/ontology/ATC/C09XA02 ATC LOOM