팔미토일코엔자임A칼륨염

palmitoyl CoA

HCID 644109

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1763-10-6
표준 SMILES: CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIKey: MNBKLUUYKPBKDU-BBECNAHFSA-N
분자식: C37H66N7O17P3S
평균 분자량: 1,005.9 g/mol
단동위원소 질량: 1,005.34487583

이름 및 식별자

우선 이름: palmitoyl CoA
IUPAC: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] hexadecanethioate
현지명: 팔미토일코엔자임A칼륨염
영어명: PALMITOYL COENZYME A POTASSIUM SALT
분자식: C37H66N7O17P3S
분자량: 1005.95

이름 및 동의어

palmitoyl-CoApalmitoyl coenzyme Apalmitoyl CoAhexadecanoyl CoA1763-10-6Coenzyme A, S-hexadecanoateDTXSID701027137Coenzyme A, PalmitoylCHEBI:15525Palmityl CoAS-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] hexadecanethioateCoA, Palmitoyl

이름 더 보기

팔미토일코엔자임A칼륨염Palmityl-CoAPalmityl coenzyme AS-palmitoylcoenzyme ACoenzyme A S-palmitateCoenzyme A S-hexadecanoatePALMITOYL COENZYME A, K SALTcoenzyme A palmitoyl derivativePALMITOYL COENZYME A POTASSIUM SALT

CoA, PalmitylCoA, Hexadecanoyl3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(hexadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)3'-phosphoadenosine 5'-(3-((3R)-4-((3-((2-(hexadecanoylsulfanyl)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate)S-(2-(3-(((2R)-4-((((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl)methoxy-hydroxyphosphoryl)oxy-hydroxyphosphoryl)oxy-2-hydroxy-3,3-dimethylbutanoyl)amino)propanoylamino)ethyl) hexadecanethioateRefChem:389178DTXCID001511375217-177-7

데이터베이스 식별자

CAS: 1763-10-6
PubChem CID: 644109
DTXSID: DTXSID701027137
ChEBI: CHEBI:15525
EC Number: 217-177-7
Nikkaji: J207.891K

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 389 Å²
수소 결합 공여자 수: 9
수소 결합 수용자 수: 22
회전 가능 결합 수: 34
무거운 원자 수: 65
형식 전하: 0
복잡도: 1,620

실험 및 물리화학적 성질

Physical DescriptionSolid

Collision Cross Section296.2 Å² [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]；296.46 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

물리화학적 성질

저장 조건: 0 °C · Store at 0°C
밀도: 1.54 · 1.54±0.1 g/cm3(Predicted)
산도 계수 (pKa): 1.16 · 1.16±0.50(Predicted)

화학적 성질

White powder

화학 및 산업

약리 정보

Tissue LocationsBrain；Erythrocyte；Fibroblasts；Heart；Kidney；Liver；Lung；Neuron；Pancreas；Placenta；Skeletal Muscle

Cellular LocationsExtracellular；Membrane

Metabolite Pathways · 1건

Cardiolipin Biosynthesis CL(16:0/16:0/16:0/16:0)；Cardiolipin Biosynthesis CL(16:0/16:0/16:0/16:1(9Z))；Cardiolipin Biosynthesis CL(16:0/16:0/16:0/18:0)；Cardiolipin Biosynthesis CL(16:0/16:0/16:0/18:1(11Z))；Cardiolipin Biosynthesis CL(16:0/16:0/16:0/18:1(9Z))；Cardiolipin Biosynthesis CL(16:0/16:0/16:0/18:2(9Z,12Z))；Cardiolipin Biosynthesis CL(16:0/16:0/16:0/20:4(5Z,8Z,11Z,14Z))；Cardiolipin Biosynthesis CL(16:0/16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))；Cardiolipin Biosynthesis CL(16:0/16:0/16:0/22:5(7Z,10Z,13Z,16Z,19Z))；Cardiolipin Biosynthesis CL(16:0/16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))；Total 2697 pathways, visit the HMDB page for details