Search MNXref
 Feedback

Mytilus Small cardioactive peptide

PropertiesImage
MNX_IDMNXM128293 Image of MNXM128293
referencehmdb:HMDB0040914
formulaC56H85N15O12
global charge0
mol weight1160.389
InChIKeyKGNBMVHUZCHPPM-RSOQHMFVSA-N
InChIInChI=1S/C56H85N15O12/c1-30(2)25-38(46(59)74)65-48(76)37(15-10-22-62-56(60)61)64-52(80)44-17-12-24-71(44)55(83)42(28-35-18-20-36(72)21-19-35)69-47(75)33(6)63-49(77)39(26-31(3)4)66-50(78)40(27-34-13-8-7-9-14-34)67-51(79)41(29-45(58)73)68-53(81)43-16-11-23-70(43)54(82)32(5)57/h7-9,13-14,18-21,30-33,37-44,72H,10-12,15-17,22-29,57H2,1-6H3,(H2,58,73)(H2,59,74)(H,63,77)(H,64,80)(H,65,76)(H,66,78)(H,67,79)(H,68,81)(H,69,75)(H4,60,61,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
SMILESCC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(N)=O
MNX internals
InChI (mnx)InChI=1/C56H85N15O12/c1-30(2)25-38(46(59)74)65-48(76)37(15-10-22-62-56(60)61)64-52(80)44-17-12-24-71(44)55(83)42(28-35-18-20-36(72)21-19-35)69-47(75)33(6)63-49(77)39(26-31(3)4)66-50(78)40(27-34-13-8-7-9-14-34)67-51(79)41(29-45(58)73)68-53(81)43-16-11-23-70(43)54(82)32(5)57/h7-9,13-14,18-21,30-33,37-44,72H,10-12,15-17,22-29,57H2,1-6H3,(H2,58,73)(H2,59,74)(H,63,77)(H,64,80)(H,65,76)(H,66,78)(H,67,79)(H,68,81)(H,69,75)(H4,60,61,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 Image of MNXM128293
SMILES (mnx)[CH3:1][CH:30]([CH3:2])[CH2:25][C@@H:38]([C:46](=[NH:59])[OH:74])[N:65]=[C:48]([C@H:37]([CH2:15][CH2:10][CH2:22][NH:62][C:56](=[NH:60])[NH2:61])[N:64]=[C:52]([C@@H:44]1[CH2:17][CH2:12][CH2:24][N:71]1[C:55]([C@H:42]([CH2:28][C:35]1=[CH:19][CH:21]=[C:36]([OH:72])[CH:20]=[CH:18]1)[N:69]=[C:47]([C@H:33]([CH3:6])[N:63]=[C:49]([C@H:39]([CH2:26][CH:31]([CH3:3])[CH3:4])[N:66]=[C:50]([C@H:40]([CH2:27][C:34]1=[CH:13][CH:8]=[CH:7][CH:9]=[CH:14]1)[N:67]=[C:51]([C@H:41]([CH2:29][C:45](=[NH:58])[OH:73])[N:68]=[C:53]([C@@H:43]1[CH2:16][CH2:11][CH2:23][N:70]1[C:54]([C@H:32]([CH3:5])[NH2:57])=[O:82])[OH:81])[OH:79])[OH:78])[OH:77])[OH:75])=[O:83])[OH:80])[OH:76]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0040914
KGNBMVHUZCHPPM-RSOQHMFVSA-N 		Mytilus Small cardioactive peptide
(2S)-2-({[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-{[(1S)-1-(C-hydroxycarbonimidoyl)-3-methylbutyl]-C-hydroxycarbonimidoyl}butyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-C-hydroxycarbonimidoyl}ethyl]-C-hydroxycarbonimidoyl}-3-methylbutyl]-C-hydroxycarbonimidoyl}-2-phenylethyl]butanediimidate
(2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]butanediamide
(2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]succinamide
Ala-pro-asn-phe-leu-ala-tyr-pro-arg-leu-NH2
Alanyl-prolyl-asparaginyl-phenylalanyl-leucyl-alanyl-tyrosyl-prolyl-arginyl-leucinamide
Apnflayprlamide
Mytilus SCP
Mytilus small cardioactive peptide

hmdb:HMDB40914 		secondary/obsolete/fantasy identifier