Chemical Entities of Biological Interest Ontology / 生物相关的化学实体本体

Last uploaded: September 7, 2023

Preferred Name	subereamine A
Synonyms	N2-[(2E)-3-(3-Bromo-4-methoxyphenyl)-2-propenoyl]-D-arginine (E)-2-(3-(3-bromo-4-methoxyphenyl)acrylamido)-5-guanidinopentanoic acid
ID	http://purl.obolibrary.org/obo/CHEBI_69834
charge	0
database_cross_reference	PMID:21542602
formula	C16H21BrN4O4
has role	http://purl.obolibrary.org/obo/CHEBI_25212
has_obo_namespace	chebi_ontology
has_related_synonym	N2-[(2E)-3-(3-Bromo-4-methoxyphenyl)-2-propenoyl]-D-arginine (E)-2-(3-(3-bromo-4-methoxyphenyl)acrylamido)-5-guanidinopentanoic acid
id	CHEBI:69834
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
inchi	InChI=1S/C16H21BrN4O4/c1-25-13-6-4-10(9-11(13)17)5-7-14(22)21-12(15(23)24)3-2-8-20-16(18)19/h4-7,9,12H,2-3,8H2,1H3,(H,21,22)(H,23,24)(H4,18,19,20)/b7-5+/t12-/m1/s1
inchikey	CYWJABQUHPIUCD-HOSRBBHYSA-N
label	subereamine A
mass	413.26600
monoisotopicmass	412.07462
notation	CHEBI:69834
prefLabel	subereamine A
smiles	COc1ccc(C=C\C(=O)N[C@H](CCCNC(N)=N)C(O)=O)cc1Br
treeView	http://purl.obolibrary.org/obo/CHEBI_51569
subClassOf	http://purl.obolibrary.org/obo/CHEBI_51569

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Delete	Mapping To	Ontology	Source
	http://purl.bioontology.org/ontology/MESH/C561439	Medical Subject Headings / 医学主题词表	LOOM