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CHEBI:230958 - Angiotensin A

ChEBI IDCHEBI:230958
ChEBI NameAngiotensin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H71N13O10
Net Charge0
Average Mass1002.188
Monoisotopic Mass1001.54469
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](Cc1cncn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C49H71N13O10/c1-6-28(4)40(46(69)58-36(24-32-25-53-26-55-32)47(70)62-21-11-15-38(62)44(67)59-37(48(71)72)23-30-12-8-7-9-13-30)61-43(66)35(22-31-16-18-33(63)19-17-31)57-45(68)39(27(2)3)60-42(65)34(56-41(64)29(5)50)14-10-20-54-49(51)52/h7-9,12-13,16-19,25-29,34-40,63H,6,10-11,14-15,20-24,50H2,1-5H3,(H,53,55)(H,56,64)(H,57,68)(H,58,69)(H,59,67)(H,60,65)(H,61,66)(H,71,72)(H4,51,52,54)/t28-,29-,34-,35-,36-,37-,38-,39-,40-/m0/s1
InChIKeyCHCOFDZSJYMQMX-NOQNJSOHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Angiotensin A (CHEBI:230958) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Manual XrefsDatabases
C20970KEGG COMPOUND
34500440ChemSpider