기본 정보
- 표준 SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O- InChIKey
KNMJILKSMXODBE-KKAKRDGQSA-N- 분자식
- C70H117N5O50
- 평균 분자량
- 1,828.7 g/mol
- 단동위원소 질량
- 1,827.6766297
개요
GalGlcNAc2Man2GlcNAcManGlcNAcFucGlcNAc-I is an amino sugar.
이름 및 식별자
- 우선 이름
- GlyTouCan:G85767HW
- IUPAC
- N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-hydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide
이름 및 동의어
GlyTouCan:G85767HWRefChem:1032449G85767HWGalGlcNAc2Man2GlcNAcManGlcNAcFucGlcNAc-ICHEBI:154402DTXSID601356317Q63409307Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[GlcNAc(b1-2)Man(a1-3)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcWURCS=2.0/5,10,9/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-1-3-1-4-5/a4-b1_a6-j1_b4-c1_c3-d1_c4-f1_c6-g1_d2-e1_g2-h1_h4-i1
데이터베이스 식별자
- PubChem CID
- 91846151
- DTXSID
DTXSID601356317- ChEBI
CHEBI:154402
물성
구조 계산 물성
- XLogP
- -18.6
- 극성 표면적
- 847 Ų
- 수소 결합 공여자 수
- 31
- 수소 결합 수용자 수
- 50
- 회전 가능 결합 수
- 32
- 무거운 원자 수
- 125
- 형식 전하
- 0
- 복잡도
- 3,420
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…