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ferribactin

MNXM11549 is deprecated and here replaced by MNXM727040
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM727040Image of MNXM727040
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC56H91N18O21
charge1
mass1351.66007
referencemetacycM:CPD-12098
InChIKeyXXKMKYGWXRCAHF-UMOUNTSTSA-O
InChIInChI=1S/C56H90N18O21/c1-29(79)43-53(90)61-19-4-3-8-34(46(83)66-37(11-7-23-74(95)28-78)50(87)71-44(30(2)80)54(91)72-43)65-47(84)36(10-6-22-73(94)27-77)68-52(89)40(25-75)69-48(85)35(9-5-20-62-56(58)59)67-51(88)41(26-76)70-49(86)38-18-21-60-45(64-38)39(24-31-12-14-32(81)15-13-31)63-42(82)17-16-33(57)55(92)93/h12-15,27-30,33-41,43-44,75-76,79-81,94-95H,3-11,16-26,57H2,1-2H3,(H,60,64)(H,61,90)(H,63,82)(H,65,84)(H,66,83)(H,67,88)(H,68,89)(H,69,85)(H,70,86)(H,71,87)(H,72,91)(H,92,93)(H4,58,59,62)/p+1/t29?,30?,33-,34-,35-,36-,37-,38-,39?,40-,41-,43-,44-/m0/s1
SMILESCC(O)[C@@H]1NC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CO)NC(=O)[C@@H]2CCN=C(C(Cc3ccc(O)cc3)NC(=O)CC[C@H]([NH3+])C(=O)[O-])N2)CCCCNC(=O)[C@H](C(C)O)NC1=O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-12098
metacycM:CPD-12098 		ferribactin