안지오텐신I

Angiotensin I

HCID 3081372CAS 484-42-4

기본 정보

표준 SMILES
CC[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](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)O
InChIKey
ORWYRWWVDCYOMK-HBZPZAIKSA-N
분자식
C62H89N17O14
평균 분자량
1,296.5 g/mol
단동위원소 질량
1,295.67749053

개요

Angiotensin I is a ten amino acid peptide formed by renin cleavage of angiotensinogen. Angiotensin I has no direct biological function except that high levels can stimulate catecholamine production. It is metabolized to its biologically active byproduct angiotensin II, a potent vasoconstrictor, by angiotensin converting enzyme (ACE) through cleavage of the two terminal amino acids. It has a role as a neurotransmitter agent and a human metabolite. It is a tautomer of an angiotensin I dizwitterion.

이름 및 식별자

우선 이름
Angiotensin I
IUPAC
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]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-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoic acid
현지명
안지오텐신I,인간
영어명
ANGIOTENSIN I, HUMAN
분자식
C62H89N17O14
분자량
1296.48

이름 및 동의어

ANGIOTENSIN IPepsitensinHuman angiotensin I9041-90-1Angiotensin I 5-isoleucineDTXSID80866222CHEBI:2718Angiotensin I, 5-L-isoleucine-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-LeuLeucine, N-(N-(N-(1-(N-(N-(N-(N-(N2-L-alpha-aspartyl-L-arginyl)-L-valyl)-L-tyrosyl)-L-isoleucyl)-L-histidyl)-L-prolyl)-3-phenylalanyl)-L-histidyl)-, L-BF-ANGIOTENSIN 1RefChem:915854
이름 더 보기
안지오텐신I,인간ANG IDRVYIHPFHLhuman,mouse,ratH2N-DRVYIHPFHL-OHNH2-DRVYIHPFHL-OHsh-Decapeptide-23ANGIOTENS I, HUMANAngiotensin I【rat】Angiotensin-(1-10)
DTXCID001511351(2S)-2-(((2S)-2-(((2S)-2-(((2S)-1-((2S)-2-(((2S,3S)-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-2-amino-3-carboxy-propanoyl)amino)-5-guanidino-pentanoyl)amino)-3-methyl-butanoyl)amino)-3-(4-hydroxyphenyl)propanoyl)amino)-3-methyl-pentanoyl)amino)-3-(1H-imidazol-5-yl)propanoyl)pyrrolidine-2-carbonyl)amino)-3-phenyl-propanoyl)amino)-3-(1H-imidazol-5-yl)propanoyl)amino)-4-methyl-pentanoic acid484-42-4ProangiotensinAngiotensin I, ile(5)-5-Ile-angiotensin IAngiotensin I (rat)Angiotensin 1, Human

데이터베이스 식별자

CAS
484-42-4、9041-90-1
PubChem CID
3081372
DTXSID
DTXSID80866222
ChEMBL
CHEMBL262670
ChEBI
CHEBI:2718
Nikkaji
J38.546H

물성

구조 계산 물성

XLogP
-1.1
극성 표면적
496 Ų
수소 결합 공여자 수
16
수소 결합 수용자 수
18
회전 가능 결합 수
37
무거운 원자 수
93

실험 및 물리화학적 성질

Collision Cross Section · 2건

474.71 Ų [M+3H]3+ [CCS Type: DT; Method: stepped-field]

550.3 Ų [M+4H]4+

물리화학적 성질

밀도
1.43 · 1.43±0.1 g/cm3(Predicted)
저장 조건
-15 °C · -15°C
용해도
129.6 mg/mL · ≥129.6 mg/mL in DMSO; ≥124.2 mg/mL in H2O; ≥9.16 mg/mL in EtOH
물리적 상태
가루
산도 계수 (pKa)
3.27 · 3.27±0.10(Predicted)
색상
하얀색

화학 및 산업

약리 정보

Metabolite PathwaysAngiotensin Metabolism
응용 분야 · 1건

용도Angiotensin I (human) stimulates the release of aldosterone, another hormone, from the adrenal cortex. It acts as a precursor to angiotensin II. It acts as endogenous peptide substrate for angiotensin converting enzyme (ACE), precursor to the vasoconstrictor peptide angiotensin II

공급사50 곳

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