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a neolactoside VI(3)-alpha-NeuNAc-nLc6Cer(d18:1(4E))

MNXM41533 is deprecated and here replaced by MNXM731275
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM731275 Image of MNXM731275
referencechebi:144452
formulaC70H118N4O41*
global charge-1
mol weight 
InChIKey 
InChI 
SMILES[*]C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@]7(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C71H122N4O41/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(87)33(72-29(2)83)28-103-66-53(97)52(96)59(42(27-82)109-66)112-68-55(99)62(48(92)38(23-78)105-68)114-64-44(74-31(4)85)50(94)57(40(25-80)107-64)110-67-54(98)61(47(91)37(22-77)104-67)113-65-45(75-32(5)86)51(95)58(41(26-81)108-65)111-69-56(100)63(49(93)39(24-79)106-69)116-71(70(101)102)20-35(88)43(73-30(3)84)60(115-71)46(90)36(89)21-76/h18-19,33-69,76-82,87-100H,6-17,20-28H2,1-5H3,(H,72,83)(H,73,84)(H,74,85)(H,75,86)(H,101,102)/b19-18+/t33-,34+,35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61-,62-,63-,64-,65-,66+,67-,68-,69-,71-/m0/s1/i2+1 Image of MNXM731275
SMILES (mnx)[CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]/[CH:18]=[CH:19]/[C@H:34]([C@H:33]([CH2:28][O:103][C@H:66]1[C@H:53]([OH:97])[C@@H:52]([OH:96])[C@H:59]([O:112][C@H:68]2[C@H:55]([OH:99])[C@@H:62]([O:114][C@H:64]3[C@H:44]([N:74]=[C:31]([CH3:4])[OH:85])[C@@H:50]([OH:94])[C@H:57]([O:110][C@H:67]4[C@H:54]([OH:98])[C@@H:61]([O:113][C@H:65]5[C@H:45]([N:75]=[C:32]([CH3:5])[OH:86])[C@@H:51]([OH:95])[C@H:58]([O:111][C@H:69]6[C@H:56]([OH:100])[C@@H:63]([O:116][C@:71]7([C:70](=[O:101])[OH:102])[CH2:20][C@H:35]([OH:88])[C@@H:43]([N:73]=[C:30]([CH3:3])[OH:84])[C@H:60]([C@@H:46]([C@@H:36]([CH2:21][OH:76])[OH:89])[OH:90])[O:115]7)[C@@H:49]([OH:93])[C@@H:39]([CH2:24][OH:79])[O:106]6)[C@@H:41]([CH2:26][OH:81])[O:108]5)[C@@H:47]([OH:91])[C@@H:37]([CH2:22][OH:77])[O:104]4)[C@@H:40]([CH2:25][OH:80])[O:107]3)[C@@H:48]([OH:92])[C@@H:38]([CH2:23][OH:78])[O:105]2)[C@@H:42]([CH2:27][OH:82])[O:109]1)[N:72]=[C:29]([13CH3:2])[OH:83])[OH:87]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:144452
chebi:144452 		a neolactoside VI(3)-alpha-NeuNAc-nLc6Cer(d18:1(4E))
N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-sphing-4-enine(1-)
N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-sphingosine(1-)
N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d18:1(4E))(1-)
alpha-NeuNAc-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1(4E))(1-)
sialyl-alpha-(2->3)-nLc6Cer(d18:1(4E))(1-)

seed.compound:cpd36510
seedM:cpd36510 		Sialyl-23-neolactohexaosylceramides

metacyc.compound:Sialyl-23-neolactohexaosylceramides
metacycM:Sialyl-23-neolactohexaosylceramides 		a sialyl-(2,3)-neolactohexaosylceramide

CHEBI:61850
chebi:61850 		alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer
(2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
(Gal)3 (Glc)1 (GlcNAc)2 (Neu5Ac)1 (Cer)1
Hex-LM1
Neu5Ac(alpha2-3)Gal(beta1-4)GlcNAc(beta1-3)Gal(beta1-4)GlcNAc(beta1-3)Gal(beta1-4)Glc(beta1-1)Cer
Neu5Acalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta1-1Cer
VI3NeuAc-nLc6Cer
alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer
sialosylneolactohexaosylceramide

seedM:M_cpd36510 		secondary/obsolete/fantasy identifier