Search MNXref
 Feedback

APADPH

PropertiesImage
MNX_IDMNXM167072 Image of MNXM167072
referencesabiorkM:29645
formulaC41H63N11O12S2
global charge0
mol weight966.154
InChIKeyXMINXPSYULINQV-UHFFFAOYSA-N
InChIInChI=1S/C41H63N11O12S2/c1-5-20(3)32(39(62)45-16-31(44)56)51-38(61)29-8-7-13-52(29)41(64)28-19-66-65-18-24(42)34(57)46-25(14-22-9-11-23(54)12-10-22)36(59)50-33(21(4)6-2)40(63)48-27(17-53)37(60)47-26(15-30(43)55)35(58)49-28/h9-12,20-21,24-29,32-33,53-54H,5-8,13-19,42H2,1-4H3,(H2,43,55)(H2,44,56)(H,45,62)(H,46,57)(H,47,60)(H,48,63)(H,49,58)(H,50,59)(H,51,61)
SMILESCCC(C)C1N=C(O)C(CC2=CC=C(O)C=C2)N=C(O)C(N)CSSCC(C(=O)N2CCCC2C(O)=NC(C(O)=NCC(=N)O)C(C)CC)N=C(O)C(CC(=N)O)N=C(O)C(CO)N=C1O
MNX internals
InChI (mnx)InChI=1/C41H63N11O12S2/c1-5-20(3)32(39(62)45-16-31(44)56)51-38(61)29-8-7-13-52(29)41(64)28-19-66-65-18-24(42)34(57)46-25(14-22-9-11-23(54)12-10-22)36(59)50-33(21(4)6-2)40(63)48-27(17-53)37(60)47-26(15-30(43)55)35(58)49-28/h9-12,20-21,24-29,32-33,53-54H,5-8,13-19,42H2,1-4H3,(H2,43,55)(H2,44,56)(H,45,62)(H,46,57)(H,47,60)(H,48,63)(H,49,58)(H,50,59)(H,51,61)/t20?,21?,24?,25?,26?,27?,28?,29?,32?,33? Image of MNXM167072
SMILES (mnx)[CH3:1][CH2:5][CH:20]([CH3:3])[CH:32]([C:39](=[N:45][CH2:16][C:31](=[NH:44])[OH:56])[OH:62])[N:51]=[C:38]([CH:29]1[CH2:8][CH2:7][CH2:13][N:52]1[C:41]([CH:28]1[CH2:19][S:66][S:65][CH2:18][CH:24]([NH2:42])[C:34]([OH:57])=[N:46][CH:25]([CH2:14][C:22]2=[CH:10][CH:12]=[C:23]([OH:54])[CH:11]=[CH:9]2)[C:36]([OH:59])=[N:50][CH:33]([CH:21]([CH3:4])[CH2:6][CH3:2])[C:40]([OH:63])=[N:48][CH:27]([CH2:17][OH:53])[C:37]([OH:60])=[N:47][CH:26]([CH2:15][C:30](=[NH:43])[OH:55])[C:35]([OH:58])=[N:49]1)=[O:64])[OH:61]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

sabiork.compound:29645
sabiorkM:29645
XMINXPSYULINQV-UHFFFAOYSA-N 		APADPH
hmdb:HMDB0253701
XMINXPSYULINQV-UHFFFAOYSA-N 		isotocin
2-({1-[19-amino-13-(butan-2-yl)-7-(carbamoylmethyl)-10-(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl}formamido)-N-(carbamoylmethyl)-3-methylpentanamide
2-({1-[19-amino-7-(carbamoylmethyl)-10-(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(sec-butyl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl}formamido)-N-(carbamoylmethyl)-3-methylpentanamide
4-Ser-8-ile-oxytocin
4-Serine-8-isoleucine-oxytocin